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]+ 268.953506 140.6
[M+Na]+ 290.935448 149.4
[M-H]- 266.938954 146.8
[M+NH4]+ 285.980053 162.1
[M+K]+ 306.909388 134.7
[M+H-H2O]+ 250.943490 150.0
[M+HCOO]- 312.944431 154.3
[M+CH3COO]- 326.960081 198.3
[M+Na-2H]- 288.920896 148.0
[M]+ 267.94568142 171.4
[M]- 267.94677858 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

literature stripe

Patent stripe

patents stripe