CID 60798809

1-(4-fluorophenyl)-2-(oxolan-2-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₂H₁₃FO₂

SMILES

C1CC(OC1)CC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H13FO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2

InChIKey

IUXVHIIWQCKBKI-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.08995 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]+	209.097226	144.1
[M+Na]+	231.079168	150.5
[M-H]-	207.082674	149.8
[M+NH4]+	226.123773	163.1
[M+K]+	247.053108	149.1
[M+H-H2O]+	191.087210	137.1
[M+HCOO]-	253.088151	164.8
[M+CH3COO]-	267.103801	184.4
[M+Na-2H]-	229.064616	147.1
[M]+	208.08940142	141.8
[M]-	208.09049858	141.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.