CID 129918716

1283720-89-7

Structural Information

Molecular Formula

C₈H₇F₂NO₂

SMILES

COC(=O)CC1=CC(=NC(=C1)F)F

InChI

InChI=1S/C8H7F2NO2/c1-13-8(12)4-5-2-6(9)11-7(10)3-5/h2-3H,4H2,1H3

InChIKey

WGDXIDPHOWCWTG-UHFFFAOYSA-N

Compound name

methyl 2-(2,6-difluoropyridin-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.04448 Da
Monoisotopic Mass: 1.5
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]+	188.05176	138.8
[M+Na]+	210.03370	149.9
[M+NH4]+	205.07830	144.9
[M+K]+	226.00764	144.5
[M-H]-	186.03720	136.7
[M+Na-2H]-	208.01915	143.6
[M]+	187.04393	139.5
[M]-	187.04503	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.