CID 135392378

3-ethynyl-3-fluorooxolane

Structural Information

Molecular Formula

SMILES

C#CC1(CCOC1)F

InChI

InChI=1S/C6H7FO/c1-2-6(7)3-4-8-5-6/h1H,3-5H2

InChIKey

AFSGWPAKMVGLCS-UHFFFAOYSA-N

Compound name

3-ethynyl-3-fluorooxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 114.048096 Da
Monoisotopic Mass: 0.5
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]+	115.05537	115.8
[M+Na]+	137.03731	126.6
[M-H]-	113.04082	117.5
[M+NH4]+	132.08192	138.2
[M+K]+	153.01125	124.2
[M+H-H2O]+	97.045356	105.0
[M+HCOO]-	159.04630	132.3
[M+CH3COO]-	173.06195	175.5
[M+Na-2H]-	135.02276	122.6
[M]+	114.04755	108.2
[M]-	114.04864	108.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe