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经验公式(希尔记法):
C10H6ClNO2
化学文摘社编号:
分子量:
207.61
UNSPSC Code:
23151817
NACRES:
NA.21
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2616773
Assay:
≥95.0% (HPLC)
Form:
crystals
Quality Segment
assay
≥95.0% (HPLC)
form
crystals
analyte functional class(es)
drugs of abuse, ionic liquids
analyte chemical class(es)
chlorinated lipids, lipids, peptides, phospholipids, phosphopeptides
technique(s)
MALDI-MS: suitable
solubility
methanol: 100 mg/10 mL, clear, colorless to light yellow
suitability
suitable for matrix substance for MALDI-MS
SMILES string
OC(=O)\C(=C\c1ccc(Cl)cc1)C#N
InChI
1S/C10H6ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
InChI key
MXCRRKYUQNHWLJ-VMPITWQZSA-N
Application
- suitable as MALDI-Matrix material
- suitable for collision-induced dissociation MS/MS (CID-MS/MS)
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hcodes
signalword
Danger
Hazard Classifications
Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
