CID 44754791

Methyl 2-fluoro-4-iodonicotinate

Structural Information

Molecular Formula

C₇H₅FINO₂

SMILES

COC(=O)C1=C(C=CN=C1F)I

InChI

InChI=1S/C7H5FINO2/c1-12-7(11)5-4(9)2-3-10-6(5)8/h2-3H,1H3

InChIKey

SEKGCCUEERLGFN-UHFFFAOYSA-N

Compound name

methyl 2-fluoro-4-iodopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 280.9349 Da
Monoisotopic Mass: 1.8
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]+	281.94218	143.5
[M+Na]+	303.92412	148.1
[M+NH4]+	298.96872	146.2
[M+K]+	319.89806	146.0
[M-H]-	279.92762	136.9
[M+Na-2H]-	301.90957	136.6
[M]+	280.93435	141.0
[M]-	280.93545	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe