CID 2758845

Ethyl 3-fluoro-4-methoxybenzoylformate

Structural Information

Molecular Formula

C₁₁H₁₁FO₄

SMILES

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

InChI

InChI=1S/C11H11FO4/c1-3-16-11(14)10(13)7-4-5-9(15-2)8(12)6-7/h4-6H,3H2,1-2H3

InChIKey

MKCWXEZQXVQTTN-UHFFFAOYSA-N

Compound name

ethyl 2-(3-fluoro-4-methoxyphenyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.06413 Da
Monoisotopic Mass: 2.1
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]+	227.07141	148.2
[M+Na]+	249.05335	159.0
[M+NH4]+	244.09795	154.2
[M+K]+	265.02729	154.5
[M-H]-	225.05685	147.1
[M+Na-2H]-	247.03880	152.4
[M]+	226.06358	149.1
[M]-	226.06468	149.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.