CID 164690

587-11-1

Structural Information

Molecular Formula

C₁₀H₁₁FO₃

SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)F

InChI

InChI=1S/C10H11FO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)

InChIKey

PXVNKPIQJZZEMO-UHFFFAOYSA-N

Compound name

2-(4-fluorophenoxy)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 80
Patents: 198.06923 Da
Monoisotopic Mass: 2.0
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	139.3
[M+Na]+	221.05845	147.2
[M-H]-	197.06195	140.7
[M+NH4]+	216.10305	158.0
[M+K]+	237.03239	145.7
[M+H-H2O]+	181.06649	133.4
[M+HCOO]-	243.06743	159.3
[M+CH3COO]-	257.08308	181.9
[M+Na-2H]-	219.04390	144.8
[M]+	198.06868	139.5
[M]-	198.06978	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe