CID 79296

5347-82-0

Structural Information

Molecular Formula
C2H7NO4S2
SMILES
CS(=O)(=O)NS(=O)(=O)C
InChI
InChI=1S/C2H7NO4S2/c1-8(4,5)3-9(2,6)7/h3H,1-2H3
InChIKey
ICTGBOFCIDHVPA-UHFFFAOYSA-N
Compound name
N-methylsulfonylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2230
Patents

172.98164 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.98892 131.4
[M+Na]+ 195.97086 139.9
[M-H]- 171.97436 131.9
[M+NH4]+ 191.01546 151.3
[M+K]+ 211.94480 137.4
[M+H-H2O]+ 155.97890 126.6
[M+HCOO]- 217.97984 144.3
[M+CH3COO]- 231.99549 174.1
[M+Na-2H]- 193.95631 136.4
[M]+ 172.98109 134.5
[M]- 172.98219 134.5
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