CID 9083

156-72-9

Structural Information

Molecular Formula
C3H8O6S2
SMILES
CS(=O)(=O)OCOS(=O)(=O)C
InChI
InChI=1S/C3H8O6S2/c1-10(4,5)8-3-9-11(2,6)7/h3H2,1-2H3
InChIKey
IQLZWWDXNXZGPK-UHFFFAOYSA-N
Compound name
methylsulfonyloxymethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

800
Patents

203.97623 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98351 137.9
[M+Na]+ 226.96545 146.5
[M-H]- 202.96895 138.4
[M+NH4]+ 222.01005 156.9
[M+K]+ 242.93939 145.0
[M+H-H2O]+ 186.97349 133.2
[M+HCOO]- 248.97443 150.3
[M+CH3COO]- 262.99008 176.5
[M+Na-2H]- 224.95090 142.6
[M]+ 203.97568 145.1
[M]- 203.97678 145.1
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