CID 20111879

3,5-difluoroisonicotinic acid

Structural Information

Molecular Formula

C₆H₃F₂NO₂

SMILES

C1=C(C(=C(C=N1)F)C(=O)O)F

InChI

InChI=1S/C6H3F2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)

InChIKey

DRWDDFVJHGAJTN-UHFFFAOYSA-N

Compound name

3,5-difluoropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 159.01318 Da
Monoisotopic Mass: 0.6
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]+	160.02046	130.0
[M+Na]+	182.00240	140.9
[M+NH4]+	177.04700	136.0
[M+K]+	197.97634	136.4
[M-H]-	158.00590	127.5
[M+Na-2H]-	179.98785	134.7
[M]+	159.01263	130.4
[M]-	159.01373	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe