CID 3017966

69888-90-0

Structural Information

Molecular Formula

C₁₀H₁₁FO₃

SMILES

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

InChI

InChI=1S/C10H11FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)

InChIKey

KBFWVRMLCVYIRL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 198.06923 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]+	199.07651	141.8
[M+Na]+	221.05845	153.1
[M+NH4]+	216.10305	148.6
[M+K]+	237.03239	147.7
[M-H]-	197.06195	141.2
[M+Na-2H]-	219.04390	146.6
[M]+	198.06868	143.0
[M]-	198.06978	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe