CID 765849

6884-98-6

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₂S

SMILES

CCC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClNO2S/c1-2-11-5-3-4-6-14(11)16-19(17,18)13-9-7-12(15)8-10-13/h3-10,16H,2H2,1H3

InChIKey

XLAJPSBESDKJHJ-UHFFFAOYSA-N

Compound name

4-chloro-N-(2-ethylphenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 295.04337 Da
Monoisotopic Mass: 3.8
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	163.4
[M+Na]+	318.032588	172.7
[M-H]-	294.036094	170.7
[M+NH4]+	313.077193	180.0
[M+K]+	334.006528	166.3
[M+H-H2O]+	278.040630	157.2
[M+HCOO]-	340.041571	178.3
[M+CH3COO]-	354.057221	199.5
[M+Na-2H]-	316.018036	167.8
[M]+	295.04282142	167.8
[M]-	295.04391858	167.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.