CID 21692990

Sodium (4-chlorophenyl)methanesulfinate

Structural Information

Molecular Formula

C₇H₇ClO₂S

SMILES

C1=CC(=CC=C1CS(=O)O)Cl

InChI

InChI=1S/C7H7ClO2S/c8-7-3-1-6(2-4-7)5-11(9)10/h1-4H,5H2,(H,9,10)

InChIKey

VMHBLCOVWRALQY-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)methanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 189.98553 Da
Monoisotopic Mass: 1.7
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]+	190.99281	134.6
[M+Na]+	212.97475	147.7
[M+NH4]+	208.01935	143.8
[M+K]+	228.94869	139.4
[M-H]-	188.97825	136.3
[M+Na-2H]-	210.96020	140.8
[M]+	189.98498	137.7
[M]-	189.98608	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe