CID 248757

N-(2-methyl-4-nitrophenyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₄S

SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O4S/c1-10-9-11(15(16)17)7-8-13(10)14-20(18,19)12-5-3-2-4-6-12/h2-9,14H,1H3

InChIKey

GBAAWNYLSCINBH-UHFFFAOYSA-N

Compound name

N-(2-methyl-4-nitrophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 9
Patents: 292.0518 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.05908	159.0
[M+Na]+	315.04102	172.0
[M+NH4]+	310.08562	166.3
[M+K]+	331.01496	167.1
[M-H]-	291.04452	163.8
[M+Na-2H]-	313.02647	167.3
[M]+	292.05125	162.5
[M]-	292.05235	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe