CID 10844940

2,6-difluoro-nicotinic acid methyl ester

Structural Information

Molecular Formula

C₇H₅F₂NO₂

SMILES

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

InChI

InChI=1S/C7H5F2NO2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3

InChIKey

FTFGRVXYRDOUJN-UHFFFAOYSA-N

Compound name

methyl 2,6-difluoropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 173.02884 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]+	174.03612	128.5
[M+Na]+	196.01806	138.9
[M-H]-	172.02156	129.0
[M+NH4]+	191.06266	147.9
[M+K]+	211.99200	137.4
[M+H-H2O]+	156.02610	120.7
[M+HCOO]-	218.02704	150.1
[M+CH3COO]-	232.04269	179.0
[M+Na-2H]-	194.00351	134.2
[M]+	173.02829	128.2
[M]-	173.02939	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe