CID 120313

4-methylsulfonylbenzenesulfonamide

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

56
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

literature stripe

Patent stripe

patents stripe