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
3
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]+ 250.020226 151.2
[M+Na]+ 272.002168 159.8
[M-H]- 248.005674 154.8
[M+NH4]+ 267.046773 168.4
[M+K]+ 287.976108 155.4
[M+H-H2O]+ 232.010210 145.3
[M+HCOO]- 294.011151 164.2
[M+CH3COO]- 308.026801 188.6
[M+Na-2H]- 269.987616 156.1
[M]+ 249.01240142 154.7
[M]- 249.01349858 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

literature stripe

Patent stripe

patents stripe