CID 15065186

2-chloro-4-methylbenzoyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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

literature stripe

Patent stripe

patents stripe