CID 22007178

3-formylbenzenesulfonyl chloride

Structural Information

Molecular Formula

C₇H₅ClO₃S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)Cl)C=O

InChI

InChI=1S/C7H5ClO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-5H

InChIKey

VXITZYGVHSIVEQ-UHFFFAOYSA-N

Compound name

3-formylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 203.9648 Da
Monoisotopic Mass: 1.4
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]+	204.97208	138.9
[M+Na]+	226.95402	152.1
[M+NH4]+	221.99862	147.2
[M+K]+	242.92796	144.2
[M-H]-	202.95752	139.7
[M+Na-2H]-	224.93947	145.1
[M]+	203.96425	141.8
[M]-	203.96535	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe