CID 10427

Methanedisulfonic acid

Structural Information

Molecular Formula
CH4O6S2
SMILES
C(S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/CH4O6S2/c2-8(3,4)1-9(5,6)7/h1H2,(H,2,3,4)(H,5,6,7)
InChIKey
OPUAWDUYWRUIIL-UHFFFAOYSA-N
Compound name
methanedisulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

6009
Patents

175.94493 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.95221 130.2
[M+Na]+ 198.93415 138.6
[M-H]- 174.93765 127.9
[M+NH4]+ 193.97875 148.7
[M+K]+ 214.90809 135.7
[M+H-H2O]+ 158.94219 126.2
[M+HCOO]- 220.94313 140.1
[M+CH3COO]- 234.95878 165.6
[M+Na-2H]- 196.91960 134.9
[M]+ 175.94438 132.9
[M]- 175.94548 132.9
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