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77646

α-Cyano-2,4-difluorocinnamic acid

≥95.0% (HPLC)

Synonym(s):

α-Cyano-o,p-difluorocinnamic acid, 2-Cyano-3-(2,4-difluorophenyl)-2-propenoic acid, DiFCCA

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About This Item

Empirical Formula (Hill Notation):
C10H5F2NO2
CAS Number:
953905-51-6
Molecular Weight:
209.15
UNSPSC Code:
12352200
NACRES:
NA.21
PubChem Substance ID:
329767839
MDL number:
MFCD09734631
Beilstein/REAXYS Number:
22870653
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Quality Level

100

assay

≥95.0% (HPLC)

form

crystals

analyte functional class(es)

drugs of abuse, ionic liquids (quantification)

analyte chemical class(es)

chlorinated lipids, lipids, peptides, phospholipids, phosphopeptides

technique(s)

MALDI-MS: suitable, collision-induced dissociation MS/MS (CID-MS/MS): suitable, matrix-enhanced secondary ion MS (ME-SIMS): suitable

solubility

methanol: 100 mg/10 mL, clear, colorless to light yellow

suitability

suitable for matrix substance for MALDI-MS

SMILES string

OC(/C(C#N)=C/C1=CC=C(F)C=C1F)=O

InChI

1S/C10H5F2NO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H,14,15)/b7-3+

InChI key

UQLFCBBYHQBVQY-XVNBXDOJSA-N

Application

suitable as MALDI-Matrix material

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Marcel Wiegelmann et al.
Analytical and bioanalytical chemistry, 405(22), 6925-6932 (2012-10-16)
A high analytical sensitivity in ultraviolet matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) is only achieved if the laser wavelength corresponds to a high optical absorption of the matrix. Laser fluence and the physicochemical properties of the compounds, e.g., the
Thorsten Jaskolla et al.
Journal of the American Society for Mass Spectrometry, 20(5), 867-874 (2009-02-10)
Phosphatidylethanolamines (PEs) are abundant lipid constituents of the cellular membrane. The amino group of PEs exhibits high reactivity with hypochlorous acid that is generated under inflammatory conditions in vivo. The analysis of the resulting PE mono- and dichloramines is of
Dimitrios G Papasotiriou et al.
Journal of proteome research, 9(5), 2619-2629 (2010-04-07)
Peptide Mass Fingerprinting (PMF) of tryptically in-gel digested samples is a well-established protein identification technique for MALDI mass spectrometry but an in-depth PMF evaluation for in-gel digestions of less specific enzymes is still missing. This study demonstrates that the MALDI-LTQ-Orbitrap
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