CID 458049

27147-69-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

76
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 152.5
[M+Na]+ 271.05117 161.1
[M-H]- 247.05467 158.9
[M+NH4]+ 266.09577 169.2
[M+K]+ 287.02511 155.9
[M+H-H2O]+ 231.05921 145.5
[M+HCOO]- 293.06015 172.3
[M+CH3COO]- 307.07580 193.7
[M+Na-2H]- 269.03662 156.9
[M]+ 248.06140 151.4
[M]- 248.06250 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.