CID 310128

4-chloro-n-(2-methoxyphenyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₃H₁₂ClNO₃S

SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClNO3S/c1-18-13-5-3-2-4-12(13)15-19(16,17)11-8-6-10(14)7-9-11/h2-9,15H,1H3

InChIKey

HSLJICOYFKROTA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 6
Patents: 297.02264 Da
Monoisotopic Mass: 2.9
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]+	298.02992	163.7
[M+Na]+	320.01186	177.8
[M+NH4]+	315.05646	172.0
[M+K]+	335.98580	168.6
[M-H]-	296.01536	167.7
[M+Na-2H]-	317.99731	172.5
[M]+	297.02209	167.7
[M]-	297.02319	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe