CID 316159

1,1-bis(bromomethyl)cyclohexane

Structural Information

Molecular Formula
C8H14Br2
SMILES
C1CCC(CC1)(CBr)CBr
InChI
InChI=1S/C8H14Br2/c9-6-8(7-10)4-2-1-3-5-8/h1-7H2
InChIKey
NOHGQDGEAXAEPW-UHFFFAOYSA-N
Compound name
1,1-bis(bromomethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

267.94623 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95351 140.6
[M+Na]+ 290.93545 149.4
[M-H]- 266.93895 146.8
[M+NH4]+ 285.98005 162.1
[M+K]+ 306.90939 134.7
[M+H-H2O]+ 250.94349 150.0
[M+HCOO]- 312.94443 154.3
[M+CH3COO]- 326.96008 198.3
[M+Na-2H]- 288.92090 148.0
[M]+ 267.94568 171.4
[M]- 267.94678 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.