CID 69051625

1530834-98-0

Structural Information

Molecular Formula

C₁₀H₈F₂O₃

SMILES

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

InChI

InChI=1S/C10H8F2O3/c1-15-10(14)5-9(13)6-2-7(11)4-8(12)3-6/h2-4H,5H2,1H3

InChIKey

LOAANQFTDUHORO-UHFFFAOYSA-N

Compound name

methyl 3-(3,5-difluorophenyl)-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 214.04414 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]+	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

No literature data available for this compound.

Patent stripe

patents stripe