CID 87657

N-(2-methylphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C13H13NO2S
SMILES
CC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H13NO2S/c1-11-7-5-6-10-13(11)14-17(15,16)12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKey
BIZZAMCVUWYVCZ-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

149
Patents

247.0667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.073976 152.6
[M+Na]+ 270.055918 160.9
[M-H]- 246.059424 159.8
[M+NH4]+ 265.100523 170.0
[M+K]+ 286.029858 156.3
[M+H-H2O]+ 230.063960 145.7
[M+HCOO]- 292.064901 172.5
[M+CH3COO]- 306.080551 191.7
[M+Na-2H]- 268.041366 158.7
[M]+ 247.06615142 154.2
[M]- 247.06724858 154.2
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