CID 19367940

2-chloro-3-methylbenzoyl chloride

Structural Information

Molecular Formula
C8H6Cl2O
SMILES
CC1=C(C(=CC=C1)C(=O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3
InChIKey
FUUCTBPASNZPKE-UHFFFAOYSA-N
Compound name
2-chloro-3-methylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

187.97957 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.986846 131.3
[M+Na]+ 210.968788 142.3
[M-H]- 186.972294 135.0
[M+NH4]+ 206.013393 152.8
[M+K]+ 226.942728 137.5
[M+H-H2O]+ 170.976830 128.2
[M+HCOO]- 232.977771 146.1
[M+CH3COO]- 246.993421 181.3
[M+Na-2H]- 208.954236 136.5
[M]+ 187.97902142 134.8
[M]- 187.98011858 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe