CID 145867583

3-(bromomethyl)-4,4-difluorooxane

Structural Information

Molecular Formula

C₆H₉BrF₂O

SMILES

C1COCC(C1(F)F)CBr

InChI

InChI=1S/C6H9BrF2O/c7-3-5-4-10-2-1-6(5,8)9/h5H,1-4H2

InChIKey

ZSALJVQAYLBOKS-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-4,4-difluorooxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.98048 Da
Monoisotopic Mass: 1.9
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]+	214.98776	137.3
[M+Na]+	236.96970	147.9
[M-H]-	212.97320	141.5
[M+NH4]+	232.01430	160.1
[M+K]+	252.94364	139.1
[M+H-H2O]+	196.97774	137.3
[M+HCOO]-	258.97868	153.5
[M+CH3COO]-	272.99433	182.1
[M+Na-2H]-	234.95515	145.0
[M]+	213.97993	151.1
[M]-	213.98103	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.