CID 120159

2-[(4-fluorophenyl)amino]benzoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

231.06955 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.076826 147.7
[M+Na]+ 254.058768 155.3
[M-H]- 230.062274 152.2
[M+NH4]+ 249.103373 164.4
[M+K]+ 270.032708 151.2
[M+H-H2O]+ 214.066810 139.7
[M+HCOO]- 276.067751 170.5
[M+CH3COO]- 290.083401 190.5
[M+Na-2H]- 252.044216 153.0
[M]+ 231.06900142 145.1
[M]- 231.07009858 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

literature stripe

Patent stripe

patents stripe