CID 3613545

1,4-bis(bromomethyl)cyclohexane

Structural Information

Molecular Formula
C8H14Br2
SMILES
C1CC(CCC1CBr)CBr
InChI
InChI=1S/C8H14Br2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6H2
InChIKey
MYALOPJJAPLQSJ-UHFFFAOYSA-N
Compound name
1,4-bis(bromomethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

267.94623 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95351 141.6
[M+Na]+ 290.93545 150.4
[M-H]- 266.93895 147.7
[M+NH4]+ 285.98005 161.7
[M+K]+ 306.90939 135.4
[M+H-H2O]+ 250.94349 150.1
[M+HCOO]- 312.94443 155.1
[M+CH3COO]- 326.96008 199.5
[M+Na-2H]- 288.92090 147.5
[M]+ 267.94568 172.1
[M]- 267.94678 172.1
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

patents stripe