CID 7412

Benzoyl chloride

Structural Information

Molecular Formula
C7H5ClO
SMILES
C1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey
PASDCCFISLVPSO-UHFFFAOYSA-N
Compound name
benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

264
References

139422
Patents

140.0029 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01018 122.3
[M+Na]+ 162.99212 131.5
[M-H]- 138.99562 126.2
[M+NH4]+ 158.03672 144.8
[M+K]+ 178.96606 128.5
[M+H-H2O]+ 123.00016 118.2
[M+HCOO]- 185.00110 142.5
[M+CH3COO]- 199.01675 171.2
[M+Na-2H]- 160.97757 130.2
[M]+ 140.00235 123.7
[M]- 140.00345 123.7
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