CID 26596489

886510-09-4

Structural Information

Molecular Formula

C₇H₃F₄NO₂

SMILES

C1=CN=C(C(=C1C(=O)O)F)C(F)(F)F

InChI

InChI=1S/C7H3F4NO2/c8-4-3(6(13)14)1-2-12-5(4)7(9,10)11/h1-2H,(H,13,14)

InChIKey

GOYPFNAZTPCXGS-UHFFFAOYSA-N

Compound name

3-fluoro-2-(trifluoromethyl)pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 314
Patents: 209.01 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.01728	147.4
[M+Na]+	231.99922	154.9
[M+NH4]+	227.04382	150.8
[M+K]+	247.97316	151.5
[M-H]-	208.00272	141.5
[M+Na-2H]-	229.98467	149.5
[M]+	209.00945	146.3
[M]-	209.01055	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe