CID 165746651

4,4-bis(bromomethyl)cyclohex-1-ene

Structural Information

Molecular Formula

C₈H₁₂Br₂

SMILES

C1CC(CC=C1)(CBr)CBr

InChI

InChI=1S/C8H12Br2/c9-6-8(7-10)4-2-1-3-5-8/h1-2H,3-7H2

InChIKey

KFHUTCOEZABMQQ-UHFFFAOYSA-N

Compound name

4,4-bis(bromomethyl)cyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.93057 Da
Monoisotopic Mass: 3.4
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]+	266.93785	138.1
[M+Na]+	288.91979	147.6
[M-H]-	264.92329	144.6
[M+NH4]+	283.96439	159.7
[M+K]+	304.89373	132.9
[M+H-H2O]+	248.92783	147.5
[M+HCOO]-	310.92877	152.9
[M+CH3COO]-	324.94442	198.1
[M+Na-2H]-	286.90524	146.3
[M]+	265.93002	170.1
[M]-	265.93112	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.