CID 84575

Benzenesulfonamide, 4-methyl-n-(methylsulfonyl)-

Structural Information

Molecular Formula
C8H11NO4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C
InChI
InChI=1S/C8H11NO4S2/c1-7-3-5-8(6-4-7)15(12,13)9-14(2,10)11/h3-6,9H,1-2H3
InChIKey
UOPITUDDUGJACT-UHFFFAOYSA-N
Compound name
4-methyl-N-methylsulfonylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

225
Patents

249.01295 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02023 151.2
[M+Na]+ 272.00217 159.8
[M-H]- 248.00567 154.8
[M+NH4]+ 267.04677 168.4
[M+K]+ 287.97611 155.4
[M+H-H2O]+ 232.01021 145.3
[M+HCOO]- 294.01115 164.2
[M+CH3COO]- 308.02680 188.6
[M+Na-2H]- 269.98762 156.1
[M]+ 249.01240 154.7
[M]- 249.01350 154.7
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.