CID 9150144

4-amino-n-[(4-chlorophenyl)methyl]benzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₃H₁₃ClN₂O₂S

SMILES

C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)N)Cl

InChI

InChI=1S/C13H13ClN2O2S/c14-11-3-1-10(2-4-11)9-16-19(17,18)13-7-5-12(15)6-8-13/h1-8,16H,9,15H2

InChIKey

SWVGTNYFDHQAOW-UHFFFAOYSA-N

Compound name

4-amino-N-[(4-chlorophenyl)methyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 296.03864 Da
Monoisotopic Mass: 2.3
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]+	297.045916	163.3
[M+Na]+	319.027858	172.0
[M-H]-	295.031364	170.0
[M+NH4]+	314.072463	179.1
[M+K]+	335.001798	165.4
[M+H-H2O]+	279.035900	156.9
[M+HCOO]-	341.036841	178.8
[M+CH3COO]-	355.052491	201.0
[M+Na-2H]-	317.013306	167.8
[M]+	296.03809142	165.6
[M]-	296.03918858	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe