CID 101737

Glyoxal-sodium 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

431
Patents

221.95041 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95769 138.7
[M+Na]+ 244.93963 144.2
[M-H]- 220.94313 132.9
[M+NH4]+ 239.98423 153.2
[M+K]+ 260.91357 141.5
[M+H-H2O]+ 204.94767 134.4
[M+HCOO]- 266.94861 143.6
[M+CH3COO]- 280.96426 170.4
[M+Na-2H]- 242.92508 141.3
[M]+ 221.94986 139.6
[M]- 221.95096 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe