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

6
Patents

296.03864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04592 165.0
[M+Na]+ 319.02786 178.3
[M+NH4]+ 314.07246 173.1
[M+K]+ 335.00180 169.4
[M-H]- 295.03136 169.5
[M+Na-2H]- 317.01331 173.2
[M]+ 296.03809 168.9
[M]- 296.03919 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe