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

55
Patents

187.97957 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.98685 132.7
[M+Na]+ 210.96879 148.2
[M+NH4]+ 206.01339 142.5
[M+K]+ 226.94273 140.5
[M-H]- 186.97229 135.2
[M+Na-2H]- 208.95424 140.6
[M]+ 187.97902 136.3
[M]- 187.98012 136.3
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