CID 7412

Benzoyl chloride

Structural Information

Molecular Formula

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

5
Annotation Hits: 264
References: 132098
Patents: 140.0029 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	141.01018	123.0
[M+Na]+	162.99212	137.6
[M+NH4]+	158.03672	133.0
[M+K]+	178.96606	130.3
[M-H]-	138.99562	125.7
[M+Na-2H]-	160.97757	131.7
[M]+	140.00235	126.2
[M]-	140.00345	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe