CID 118627

34262-32-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6375
Patents

248.06195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.069226 152.5
[M+Na]+ 271.051168 161.1
[M-H]- 247.054674 158.9
[M+NH4]+ 266.095773 169.2
[M+K]+ 287.025108 155.9
[M+H-H2O]+ 231.059210 145.5
[M+HCOO]- 293.060151 172.3
[M+CH3COO]- 307.075801 193.7
[M+Na-2H]- 269.036616 156.9
[M]+ 248.06140142 151.4
[M]- 248.06249858 151.4
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