CID 120313

Dtxsid00985267

Structural Information

Molecular Formula
C7H9NO4S2
SMILES
CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C7H9NO4S2/c1-13(9,10)6-2-4-7(5-3-6)14(8,11)12/h2-5H,1H3,(H2,8,11,12)
InChIKey
OXLLOGLZHQOVJQ-UHFFFAOYSA-N
Compound name
4-methylsulfonylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

234.9973 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00458 147.3
[M+Na]+ 257.98652 156.3
[M-H]- 233.99002 150.5
[M+NH4]+ 253.03112 164.8
[M+K]+ 273.96046 151.8
[M+H-H2O]+ 217.99456 141.6
[M+HCOO]- 279.99550 160.0
[M+CH3COO]- 294.01115 185.0
[M+Na-2H]- 255.97197 151.6
[M]+ 234.99675 149.4
[M]- 234.99785 149.4
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.