CID 101737

Glyoxal bisulfite

Structural Information

Molecular Formula

C₂H₆O₈S₂

SMILES

C(C(O)S(=O)(=O)O)(O)S(=O)(=O)O

InChI

InChI=1S/C2H6O8S2/c3-1(11(5,6)7)2(4)12(8,9)10/h1-4H,(H,5,6,7)(H,8,9,10)

InChIKey

HADMFXUIQRIRMV-UHFFFAOYSA-N

Compound name

1,2-dihydroxyethane-1,2-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 425
Patents: 221.95041 Da
Monoisotopic Mass: -3.0
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]+	222.95769	143.5
[M+Na]+	244.93963	146.8
[M+NH4]+	239.98423	145.9
[M+K]+	260.91357	146.0
[M-H]-	220.94313	135.5
[M+Na-2H]-	242.92508	140.3
[M]+	221.94986	141.8
[M]-	221.95096	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe