CID 14595653

63440-92-6

Structural Information

Molecular Formula
C4H10O7S2
SMILES
C(CS(=O)(=O)O)OCCS(=O)(=O)O
InChI
InChI=1S/C4H10O7S2/c5-12(6,7)3-1-11-2-4-13(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
InChIKey
YXFNFSBQEDFMHR-UHFFFAOYSA-N
Compound name
2-(2-sulfoethoxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

837
Patents

233.9868 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99408 145.5
[M+Na]+ 256.97602 152.3
[M-H]- 232.97952 142.5
[M+NH4]+ 252.02062 161.6
[M+K]+ 272.94996 149.2
[M+H-H2O]+ 216.98406 140.7
[M+HCOO]- 278.98500 154.8
[M+CH3COO]- 293.00065 176.7
[M+Na-2H]- 254.96147 149.4
[M]+ 233.98625 150.7
[M]- 233.98735 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.