CID 15549820

4-(4-fluorophenoxy)phenylacetic acid

Structural Information

Molecular Formula

C₁₄H₁₁FO₃

SMILES

C1=CC(=CC=C1CC(=O)O)OC2=CC=C(C=C2)F

InChI

InChI=1S/C14H11FO3/c15-11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)9-14(16)17/h1-8H,9H2,(H,16,17)

InChIKey

VMMSFFIABDLZIP-UHFFFAOYSA-N

Compound name

2-[4-(4-fluorophenoxy)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 246.06923 Da
Monoisotopic Mass: 3.1
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]+	247.076506	151.5
[M+Na]+	269.058448	159.4
[M-H]-	245.061954	155.9
[M+NH4]+	264.103053	167.9
[M+K]+	285.032388	155.8
[M+H-H2O]+	229.066490	143.4
[M+HCOO]-	291.067431	173.1
[M+CH3COO]-	305.083081	190.6
[M+Na-2H]-	267.043896	155.8
[M]+	246.06868142	151.3
[M]-	246.06977858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe