CID 20288

Fluenetil

Structural Information

Molecular Formula

C₁₆H₁₅FO₂

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)OCCF

InChI

InChI=1S/C16H15FO2/c17-10-11-19-16(18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2

InChIKey

XAERLJMOUYEBAB-UHFFFAOYSA-N

Compound name

2-fluoroethyl 2-(4-phenylphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 3723
Patents: 258.10562 Da
Monoisotopic Mass: 3.9
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]+	259.11290	160.2
[M+Na]+	281.09484	173.9
[M+NH4]+	276.13944	168.2
[M+K]+	297.06878	165.5
[M-H]-	257.09834	163.3
[M+Na-2H]-	279.08029	168.9
[M]+	258.10507	163.0
[M]-	258.10617	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe