CID 61468093

Potassium 2-[(4-chloro-3-fluorophenyl)amino]pyridine-3-carboxylate

Structural Information

Molecular Formula
C12H8ClFN2O2
SMILES
C1=CC(=C(N=C1)NC2=CC(=C(C=C2)Cl)F)C(=O)O
InChI
InChI=1S/C12H8ClFN2O2/c13-9-4-3-7(6-10(9)14)16-11-8(12(17)18)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKey
FMMUUGMNDOEHRI-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-fluoroanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02585 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03313 153.1
[M+Na]+ 289.01507 162.8
[M-H]- 265.01857 156.5
[M+NH4]+ 284.05967 168.2
[M+K]+ 304.98901 157.0
[M+H-H2O]+ 249.02311 145.2
[M+HCOO]- 311.02405 170.4
[M+CH3COO]- 325.03970 195.1
[M+Na-2H]- 287.00052 157.9
[M]+ 266.02530 153.3
[M]- 266.02640 153.3
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.