CID 22045949

Sodium methanesulfonylmethanesulfinate

Structural Information

Molecular Formula

C₂H₆O₄S₂

SMILES

CS(=O)(=O)CS(=O)O

InChI

InChI=1S/C2H6O4S2/c1-8(5,6)2-7(3)4/h2H2,1H3,(H,3,4)

InChIKey

CBKJJOFJHWJJTF-UHFFFAOYSA-N

Compound name

methylsulfonylmethanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 157.97075 Da
Monoisotopic Mass: -1.1
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]+	158.97803	126.7
[M+Na]+	180.95997	135.0
[M-H]-	156.96347	125.9
[M+NH4]+	176.00457	147.0
[M+K]+	196.93391	132.6
[M+H-H2O]+	140.96801	122.4
[M+HCOO]-	202.96895	137.6
[M+CH3COO]-	216.98460	168.1
[M+Na-2H]-	178.94542	128.9
[M]+	157.97020	129.6
[M]-	157.97130	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe