CID 10955828

2-((2-aminophenyl)thio)benzoic acid

Structural Information

Molecular Formula
C13H11NO2S
SMILES
C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC=C2N
InChI
InChI=1S/C13H11NO2S/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,14H2,(H,15,16)
InChIKey
RMNTUOAOPRWVLP-UHFFFAOYSA-N
Compound name
2-(2-aminophenyl)sulfanylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

245.05106 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05834 152.2
[M+Na]+ 268.04028 165.1
[M+NH4]+ 263.08488 160.8
[M+K]+ 284.01422 156.7
[M-H]- 244.04378 156.7
[M+Na-2H]- 266.02573 160.4
[M]+ 245.05051 155.8
[M]- 245.05161 155.8
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