CID 75530092

Ethyl 2-(fluoromethyl)isonicotinate

Structural Information

Molecular Formula

C₉H₁₀FNO₂

SMILES

CCOC(=O)C1=CC(=NC=C1)CF

InChI

InChI=1S/C9H10FNO2/c1-2-13-9(12)7-3-4-11-8(5-7)6-10/h3-5H,2,6H2,1H3

InChIKey

AVDJSYVAJRQUNI-UHFFFAOYSA-N

Compound name

ethyl 2-(fluoromethyl)pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.06955 Da
Monoisotopic Mass: 1.3
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]+	184.076826	135.9
[M+Na]+	206.058768	144.4
[M-H]-	182.062274	137.1
[M+NH4]+	201.103373	154.7
[M+K]+	222.032708	142.9
[M+H-H2O]+	166.066810	128.5
[M+HCOO]-	228.067751	157.9
[M+CH3COO]-	242.083401	181.1
[M+Na-2H]-	204.044216	141.7
[M]+	183.06900142	137.1
[M]-	183.07009858	137.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.