CID 6395

Methanesulfonic acid

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)O

InChI

InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)

InChIKey

AFVFQIVMOAPDHO-UHFFFAOYSA-N

Compound name

methanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2246
References: 232047
Patents: 95.98811 Da
Monoisotopic Mass: -0.9
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]+	96.995386	111.7
[M+Na]+	118.977328	121.3
[M-H]-	94.980834	111.8
[M+NH4]+	114.021933	135.0
[M+K]+	134.951268	120.8
[M+H-H2O]+	78.985370	108.4
[M+HCOO]-	140.986311	129.6
[M+CH3COO]-	155.001961	157.8
[M+Na-2H]-	116.962776	117.8
[M]+	95.98756142	113.7
[M]-	95.98865858	113.7

Literature stripe

literature stripe

Patent stripe

patents stripe