CID 67671

347-63-7

Structural Information

Molecular Formula

C₁₁H₁₁FO₄

SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)O)F

InChI

InChI=1S/C11H11FO4/c1-16-10-4-2-7(6-8(10)12)9(13)3-5-11(14)15/h2,4,6H,3,5H2,1H3,(H,14,15)

InChIKey

SNRFVYKMDZSFED-UHFFFAOYSA-N

Compound name

4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 226.06413 Da
Monoisotopic Mass: 1.1
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	148.6
[M+Na]+	249.05335	158.8
[M+NH4]+	244.09795	154.1
[M+K]+	265.02729	154.5
[M-H]-	225.05685	146.9
[M+Na-2H]-	247.03880	152.1
[M]+	226.06358	149.1
[M]-	226.06468	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe