CID 103541

51787-96-3

Structural Information

Molecular Formula

C₁₀H₉FO₂

SMILES

C1CC(=O)OC1C2=CC=C(C=C2)F

InChI

InChI=1S/C10H9FO2/c11-8-3-1-7(2-4-8)9-5-6-10(12)13-9/h1-4,9H,5-6H2

InChIKey

RMFNZGXVLAUJHF-UHFFFAOYSA-N

Compound name

5-(4-fluorophenyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 180.05865 Da
Monoisotopic Mass: 1.8
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]+	181.065926	133.5
[M+Na]+	203.047868	142.1
[M-H]-	179.051374	139.9
[M+NH4]+	198.092473	154.1
[M+K]+	219.021808	140.7
[M+H-H2O]+	163.055910	127.1
[M+HCOO]-	225.056851	155.9
[M+CH3COO]-	239.072501	178.7
[M+Na-2H]-	201.033316	138.3
[M]+	180.05810142	131.6
[M]-	180.05919858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe