CID 66847

4-chlorobenzenesulfinic acid

Structural Information

Molecular Formula

C₆H₅ClO₂S

SMILES

C1=CC(=CC=C1S(=O)O)Cl

InChI

InChI=1S/C6H5ClO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)

InChIKey

AOQYAMDZQAEDLO-UHFFFAOYSA-N

Compound name

4-chlorobenzenesulfinic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 675
Patents: 175.96988 Da
Monoisotopic Mass: 1.8
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]+	176.97716	130.1
[M+Na]+	198.95910	143.4
[M+NH4]+	194.00370	139.5
[M+K]+	214.93304	135.5
[M-H]-	174.96260	131.9
[M+Na-2H]-	196.94455	136.6
[M]+	175.96933	133.3
[M]-	175.97043	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe