CID 18071992

1016520-75-4

Structural Information

Molecular Formula

C₁₄H₁₁FO₃

SMILES

C1=CC=C(C=C1)C(C(=O)O)OC2=CC(=CC=C2)F

InChI

InChI=1S/C14H11FO3/c15-11-7-4-8-12(9-11)18-13(14(16)17)10-5-2-1-3-6-10/h1-9,13H,(H,16,17)

InChIKey

KAIUTBPPPFKEKQ-UHFFFAOYSA-N

Compound name

2-(3-fluorophenoxy)-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.06923 Da
Monoisotopic Mass: 3.3
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]+	247.076506	151.9
[M+Na]+	269.058448	158.6
[M-H]-	245.061954	156.0
[M+NH4]+	264.103053	167.9
[M+K]+	285.032388	155.5
[M+H-H2O]+	229.066490	143.8
[M+HCOO]-	291.067431	172.6
[M+CH3COO]-	305.083081	190.3
[M+Na-2H]-	267.043896	155.8
[M]+	246.06868142	150.8
[M]-	246.06977858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.