CID 120158

2-((3-fluorophenyl)amino)benzoic acid

Structural Information

Molecular Formula
C13H10FNO2
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C13H10FNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)
InChIKey
HYZIDPAMLUKNIR-UHFFFAOYSA-N
Compound name
2-(3-fluoroanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

231.06955 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07683 147.7
[M+Na]+ 254.05877 155.3
[M-H]- 230.06227 152.2
[M+NH4]+ 249.10337 164.4
[M+K]+ 270.03271 151.2
[M+H-H2O]+ 214.06681 139.7
[M+HCOO]- 276.06775 170.5
[M+CH3COO]- 290.08340 190.5
[M+Na-2H]- 252.04422 153.0
[M]+ 231.06900 145.1
[M]- 231.07010 145.1
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