CID 121208369

4,4-bis(bromomethyl)tetrahydro-2h-pyran

Structural Information

Molecular Formula

C₇H₁₂Br₂O

SMILES

C1COCCC1(CBr)CBr

InChI

InChI=1S/C7H12Br2O/c8-5-7(6-9)1-3-10-4-2-7/h1-6H2

InChIKey

HJGMNLGPBCXWGK-UHFFFAOYSA-N

Compound name

4,4-bis(bromomethyl)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.92548 Da
Monoisotopic Mass: 2.2
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]+	270.93276	149.4
[M+Na]+	292.91470	143.6
[M+NH4]+	287.95930	152.6
[M+K]+	308.88864	148.8
[M-H]-	268.91820	150.9
[M+Na-2H]-	290.90015	150.7
[M]+	269.92493	148.0
[M]-	269.92603	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.