CID 46739274

944582-95-0

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC=C1C(=O)O)F

InChI

InChI=1S/C7H6FNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H,10,11)

InChIKey

KFWMUBBPUAWTPO-UHFFFAOYSA-N

Compound name

6-fluoro-4-methylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 129
Patents: 155.03825 Da
Monoisotopic Mass: 1.2
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]+	156.04553	126.5
[M+Na]+	178.02747	136.3
[M-H]-	154.03097	126.9
[M+NH4]+	173.07207	145.9
[M+K]+	194.00141	134.3
[M+H-H2O]+	138.03551	120.0
[M+HCOO]-	200.03645	147.5
[M+CH3COO]-	214.05210	174.2
[M+Na-2H]-	176.01292	132.2
[M]+	155.03770	125.5
[M]-	155.03880	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe