CID 1432603

2-[(3-fluorophenyl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C12H9FN2O2
SMILES
C1=CC(=CC(=C1)F)NC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C12H9FN2O2/c13-8-3-1-4-9(7-8)15-11-10(12(16)17)5-2-6-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKey
HCEHASQDYHUQAD-UHFFFAOYSA-N
Compound name
2-(3-fluoroanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

232.0648 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.072076 147.6
[M+Na]+ 255.054018 155.6
[M-H]- 231.057524 150.8
[M+NH4]+ 250.098623 162.9
[M+K]+ 271.027958 151.5
[M+H-H2O]+ 215.062060 138.8
[M+HCOO]- 277.063001 169.5
[M+CH3COO]- 291.078651 190.1
[M+Na-2H]- 253.039466 153.6
[M]+ 232.06425142 145.2
[M]- 232.06534858 145.2
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