CID 87251

Methanesulfinic acid

Structural Information

Molecular Formula

SMILES

CS(=O)O

InChI

InChI=1S/CH4O2S/c1-4(2)3/h1H3,(H,2,3)

InChIKey

XNEFVTBPCXGIRX-UHFFFAOYSA-N

Compound name

methanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 137
References: 11112
Patents: 79.9932 Da
Monoisotopic Mass: -0.5
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]+	81.000476	108.8
[M+Na]+	102.98242	117.5
[M-H]-	78.985924	108.7
[M+NH4]+	98.027023	132.6
[M+K]+	118.95636	117.4
[M+H-H2O]+	62.990460	105.1
[M+HCOO]-	124.99140	126.7
[M+CH3COO]-	139.00705	157.2
[M+Na-2H]-	100.96787	113.0
[M]+	79.992651	109.8
[M]-	79.993749	109.8

Literature stripe

literature stripe

Patent stripe

patents stripe