CID 71303865

6-(difluoromethoxy)nicotinic acid

Structural Information

Molecular Formula

C₇H₅F₂NO₃

SMILES

C1=CC(=NC=C1C(=O)O)OC(F)F

InChI

InChI=1S/C7H5F2NO3/c8-7(9)13-5-2-1-4(3-10-5)6(11)12/h1-3,7H,(H,11,12)

InChIKey

CEXGVODHXUFPML-UHFFFAOYSA-N

Compound name

6-(difluoromethoxy)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 189.02374 Da
Monoisotopic Mass: 1.6
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]+	190.03102	137.1
[M+Na]+	212.01296	146.7
[M+NH4]+	207.05756	142.3
[M+K]+	227.98690	143.1
[M-H]-	188.01646	133.8
[M+Na-2H]-	209.99841	141.0
[M]+	189.02319	137.1
[M]-	189.02429	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe