CID 67234679

1,4-bis(bromomethyl)bicyclo[2.2.2]octane

Structural Information

Molecular Formula
C10H16Br2
SMILES
C1CC2(CCC1(CC2)CBr)CBr
InChI
InChI=1S/C10H16Br2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h1-8H2
InChIKey
UOOKHDGJGDNVTM-UHFFFAOYSA-N
Compound name
1,4-bis(bromomethyl)bicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

293.96188 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.96916 146.2
[M+Na]+ 316.95110 153.9
[M-H]- 292.95460 147.7
[M+NH4]+ 311.99570 171.5
[M+K]+ 332.92504 140.1
[M+H-H2O]+ 276.95914 156.0
[M+HCOO]- 338.96008 153.3
[M+CH3COO]- 352.97573 158.1
[M+Na-2H]- 314.93655 157.9
[M]+ 293.96133 179.4
[M]- 293.96243 179.4
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

patents stripe