CID 710437

1725-89-9

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₂S

SMILES

CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

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

InChIKey

JKKPUSMYLQAMPT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 295.04337 Da
Monoisotopic Mass: 3.9
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]+	296.05065	163.4
[M+Na]+	318.03259	172.7
[M-H]-	294.03609	170.7
[M+NH4]+	313.07719	180.0
[M+K]+	334.00653	166.3
[M+H-H2O]+	278.04063	157.2
[M+HCOO]-	340.04157	178.3
[M+CH3COO]-	354.05722	199.5
[M+Na-2H]-	316.01804	167.8
[M]+	295.04282	167.8
[M]-	295.04392	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe