CID 119386

155450-07-0

Structural Information

Molecular Formula
C3H8O5S3
SMILES
CSS(=O)(=O)CCS(=O)(=O)O
InChI
InChI=1S/C3H8O5S3/c1-9-11(7,8)3-2-10(4,5)6/h2-3H2,1H3,(H,4,5,6)
InChIKey
ZMOPAJVWPIEFKK-UHFFFAOYSA-N
Compound name
2-methylsulfanylsulfonylethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

86
References

81
Patents

219.95338 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96066 149.9
[M+Na]+ 242.94260 155.8
[M+NH4]+ 237.98720 155.2
[M+K]+ 258.91654 148.8
[M-H]- 218.94610 145.8
[M+Na-2H]- 240.92805 148.4
[M]+ 219.95283 150.6
[M]- 219.95393 150.6
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.