CID 345361

3-fluoroisonicotinic acid

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H4FNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)

InChIKey

POLXLLIQWDBJMD-UHFFFAOYSA-N

Compound name

3-fluoropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 929
Patents: 141.02261 Da
Monoisotopic Mass: 0.5
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]+	142.02989	125.0
[M+Na]+	164.01183	136.9
[M+NH4]+	159.05643	132.1
[M+K]+	179.98577	132.1
[M-H]-	140.01533	124.1
[M+Na-2H]-	161.99728	131.0
[M]+	141.02206	126.2
[M]-	141.02316	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe