CID 12711487

79862-93-4

Structural Information

Molecular Formula

C₆H₁₀Br₂O

SMILES

C1COCCC1(CBr)Br

InChI

InChI=1S/C6H10Br2O/c7-5-6(8)1-3-9-4-2-6/h1-5H2

InChIKey

UBOUSERAIGNSGU-UHFFFAOYSA-N

Compound name

4-bromo-4-(bromomethyl)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.90984 Da
Monoisotopic Mass: 2.0
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]+	256.917116	135.0
[M+Na]+	278.899058	144.3
[M-H]-	254.902564	141.8
[M+NH4]+	273.943663	155.8
[M+K]+	294.872998	131.2
[M+H-H2O]+	238.907100	144.5
[M+HCOO]-	300.908041	148.6
[M+CH3COO]-	314.923691	195.1
[M+Na-2H]-	276.884506	144.0
[M]+	255.90929142	166.9
[M]-	255.91038858	166.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.