CID 2758827

Ethyl 3,5-difluorobenzoylformate

Structural Information

Molecular Formula

C₁₀H₈F₂O₃

SMILES

CCOC(=O)C(=O)C1=CC(=CC(=C1)F)F

InChI

InChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)6-3-7(11)5-8(12)4-6/h3-5H,2H2,1H3

InChIKey

JPTHBXHXKOKMTE-UHFFFAOYSA-N

Compound name

ethyl 2-(3,5-difluorophenyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 214.04414 Da
Monoisotopic Mass: 2.2
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]+	215.05142	146.2
[M+Na]+	237.03336	156.5
[M+NH4]+	232.07796	151.9
[M+K]+	253.00730	151.6
[M-H]-	213.03686	144.0
[M+Na-2H]-	235.01881	150.1
[M]+	214.04359	146.7
[M]-	214.04469	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe