CID 121597761

2-(bromomethyl)-1,4-dioxepane

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

C1COCC(OC1)CBr

InChI

InChI=1S/C6H11BrO2/c7-4-6-5-8-2-1-3-9-6/h6H,1-5H2

InChIKey

LLCPJHFMUBGJLZ-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-1,4-dioxepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.99425 Da
Monoisotopic Mass: 0.9
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]+	195.00153	132.4
[M+Na]+	216.98347	133.5
[M+NH4]+	212.02807	137.0
[M+K]+	232.95741	135.5
[M-H]-	192.98697	134.6
[M+Na-2H]-	214.96892	134.5
[M]+	193.99370	132.1
[M]-	193.99480	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.