CID 7275187

N-(2-chloro-4-methylphenyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C)Cl

InChI

InChI=1S/C14H14ClNO2S/c1-10-3-6-12(7-4-10)19(17,18)16-14-8-5-11(2)9-13(14)15/h3-9,16H,1-2H3

InChIKey

RCQMCSRFEXHYPC-UHFFFAOYSA-N

Compound name

N-(2-chloro-4-methylphenyl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.04337 Da
Monoisotopic Mass: 3.4
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]+	296.050646	163.1
[M+Na]+	318.032588	173.2
[M-H]-	294.036094	170.8
[M+NH4]+	313.077193	180.0
[M+K]+	334.006528	167.0
[M+H-H2O]+	278.040630	157.1
[M+HCOO]-	340.041571	178.0
[M+CH3COO]-	354.057221	200.7
[M+Na-2H]-	316.018036	166.9
[M]+	295.04282142	167.9
[M]-	295.04391858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.