CID 46311148

876919-08-3

Structural Information

Molecular Formula

SMILES

COC(=O)C1=C(C=NC=C1)F

InChI

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

InChIKey

KAXQMQPQJSMLLM-UHFFFAOYSA-N

Compound name

methyl 3-fluoropyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 190
Patents: 155.03825 Da
Monoisotopic Mass: 0.8
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	126.4
[M+Na]+	178.02747	135.8
[M-H]-	154.03097	128.0
[M+NH4]+	173.07207	146.3
[M+K]+	194.00141	134.8
[M+H-H2O]+	138.03551	119.4
[M+HCOO]-	200.03645	149.1
[M+CH3COO]-	214.05210	175.0
[M+Na-2H]-	176.01292	133.4
[M]+	155.03770	126.9
[M]-	155.03880	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe