CID 31390

4-amino-n-phenylbenzenesulfonamide

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
InChIKey
YBUXKQSCKVQATK-UHFFFAOYSA-N
Compound name
4-amino-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

2094
Patents

248.06195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 151.9
[M+Na]+ 271.05117 159.6
[M-H]- 247.05467 158.5
[M+NH4]+ 266.09577 168.5
[M+K]+ 287.02511 154.8
[M+H-H2O]+ 231.05921 144.7
[M+HCOO]- 293.06015 172.4
[M+CH3COO]- 307.07580 193.1
[M+Na-2H]- 269.03662 158.1
[M]+ 248.06140 151.3
[M]- 248.06250 151.3
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