CID 95236

N-benzylbenzenesulfonamide

Structural Information

Molecular Formula
C13H13NO2S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H13NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKey
GRTPAOVVVLZLDP-UHFFFAOYSA-N
Compound name
N-benzylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

204
Patents

247.0667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07398 152.8
[M+Na]+ 270.05592 160.2
[M-H]- 246.05942 159.6
[M+NH4]+ 265.10052 169.9
[M+K]+ 286.02986 155.6
[M+H-H2O]+ 230.06396 145.6
[M+HCOO]- 292.06490 172.7
[M+CH3COO]- 306.08055 190.5
[M+Na-2H]- 268.04137 159.5
[M]+ 247.06615 153.9
[M]- 247.06725 153.9
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