CID 145913666

3-fluoro-2-(iodomethyl)oxolane

Structural Information

Molecular Formula

SMILES

C1COC(C1F)CI

InChI

InChI=1S/C5H8FIO/c6-4-1-2-8-5(4)3-7/h4-5H,1-3H2

InChIKey

RENPANUFEIQEBJ-UHFFFAOYSA-N

Compound name

3-fluoro-2-(iodomethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.96039 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]+	230.96767	129.5
[M+Na]+	252.94961	130.2
[M-H]-	228.95311	125.3
[M+NH4]+	247.99421	147.2
[M+K]+	268.92355	136.3
[M+H-H2O]+	212.95765	120.6
[M+HCOO]-	274.95859	146.1
[M+CH3COO]-	288.97424	178.0
[M+Na-2H]-	250.93506	122.8
[M]+	229.95984	124.7
[M]-	229.96094	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.