CID 3574568

326871-18-5

Structural Information

Molecular Formula

C₁₃H₁₃ClN₂O₂S

SMILES

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

InChI

InChI=1S/C13H13ClN2O2S/c1-9-5-6-11(15)8-13(9)19(17,18)16-12-4-2-3-10(14)7-12/h2-8,16H,15H2,1H3

InChIKey

RRGXVVNGZBFMBV-UHFFFAOYSA-N

Compound name

5-amino-N-(3-chlorophenyl)-2-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 296.03864 Da
Monoisotopic Mass: 2.8
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]+	297.045916	163.5
[M+Na]+	319.027858	173.1
[M-H]-	295.031364	170.6
[M+NH4]+	314.072463	179.7
[M+K]+	335.001798	166.6
[M+H-H2O]+	279.035900	157.4
[M+HCOO]-	341.036841	179.0
[M+CH3COO]-	355.052491	202.2
[M+Na-2H]-	317.013306	167.3
[M]+	296.03809142	166.2
[M]-	296.03918858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe