CID 788021

4-amino-n-(4-chlorophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,14H2
InChIKey
RBJGYDGKXTYSSL-UHFFFAOYSA-N
Compound name
4-amino-N-(4-chlorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

282.02298 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03026 158.9
[M+Na]+ 305.01220 168.1
[M-H]- 281.01570 165.8
[M+NH4]+ 300.05680 175.3
[M+K]+ 320.98614 161.7
[M+H-H2O]+ 265.02024 152.8
[M+HCOO]- 327.02118 174.8
[M+CH3COO]- 341.03683 198.0
[M+Na-2H]- 302.99765 163.9
[M]+ 282.02243 160.9
[M]- 282.02353 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe