CID 1100

Sulfurous acid

Structural Information

Molecular Formula

SMILES

OS(=O)O

InChI

InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)

InChIKey

LSNNMFCWUKXFEE-UHFFFAOYSA-N

Compound name

sulfurous acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 6407
References: 278340
Patents: 81.972466 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]+	82.979742	108.2
[M+Na]+	104.96168	116.9
[M-H]-	80.965190	106.7
[M+NH4]+	100.00629	131.1
[M+K]+	120.93562	116.3
[M+H-H2O]+	64.969726	104.6
[M+HCOO]-	126.97067	125.2
[M+CH3COO]-	140.98632	153.6
[M+Na-2H]-	102.94713	112.5
[M]+	81.971917	108.4
[M]-	81.973015	108.4

Literature stripe

literature stripe

Patent stripe

patents stripe