CID 3422812

326619-14-1

Structural Information

Molecular Formula
C13H13ClN2O2S
SMILES
CC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C13H13ClN2O2S/c1-9-6-7-10(15)8-13(9)19(17,18)16-12-5-3-2-4-11(12)14/h2-8,16H,15H2,1H3
InChIKey
AEAWXZIRGYEFSN-UHFFFAOYSA-N
Compound name
5-amino-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

296.03864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04592 163.5
[M+Na]+ 319.02786 173.1
[M-H]- 295.03136 170.6
[M+NH4]+ 314.07246 179.7
[M+K]+ 335.00180 166.6
[M+H-H2O]+ 279.03590 157.4
[M+HCOO]- 341.03684 179.0
[M+CH3COO]- 355.05249 202.2
[M+Na-2H]- 317.01331 167.3
[M]+ 296.03809 166.2
[M]- 296.03919 166.2
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