CID 165676342

6-(bromomethyl)-6-fluoro-1,4-dioxepane

Structural Information

Molecular Formula

C₆H₁₀BrFO₂

SMILES

C1COCC(CO1)(CBr)F

InChI

InChI=1S/C6H10BrFO2/c7-3-6(8)4-9-1-2-10-5-6/h1-5H2

InChIKey

YNJIUBXNTRDBQW-UHFFFAOYSA-N

Compound name

6-(bromomethyl)-6-fluoro-1,4-dioxepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.98482 Da
Monoisotopic Mass: 0.7
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]+	212.99210	129.8
[M+Na]+	234.97404	137.3
[M-H]-	210.97754	136.2
[M+NH4]+	230.01864	149.6
[M+K]+	250.94798	134.0
[M+H-H2O]+	194.98208	130.4
[M+HCOO]-	256.98302	145.7
[M+CH3COO]-	270.99867	182.5
[M+Na-2H]-	232.95949	139.4
[M]+	211.98427	142.3
[M]-	211.98537	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.