CID 8032

1,2-ethanedisulfonic acid

Structural Information

Molecular Formula
C2H6O6S2
SMILES
C(CS(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
InChIKey
AFAXGSQYZLGZPG-UHFFFAOYSA-N
Compound name
ethane-1,2-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

8
References

114870
Patents

189.96059 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.967866 134.4
[M+Na]+ 212.949808 142.4
[M-H]- 188.953314 131.9
[M+NH4]+ 207.994413 152.4
[M+K]+ 228.923748 139.2
[M+H-H2O]+ 172.957850 130.2
[M+HCOO]- 234.958791 144.0
[M+CH3COO]- 248.974441 168.6
[M+Na-2H]- 210.935256 138.7
[M]+ 189.96004142 137.5
[M]- 189.96113858 137.5
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