CID 139060

1-bromobicyclo[2.2.2]octane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC2(CCC1CC2)Br
InChI
InChI=1S/C8H13Br/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2
InChIKey
GKIJLFQCRFWQCZ-UHFFFAOYSA-N
Compound name
1-bromobicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

188.02007 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027346 137.2
[M+Na]+ 211.009288 145.1
[M-H]- 187.012794 137.2
[M+NH4]+ 206.053893 166.1
[M+K]+ 226.983228 135.4
[M+H-H2O]+ 171.017330 139.2
[M+HCOO]- 233.018271 147.9
[M+CH3COO]- 247.033921 150.3
[M+Na-2H]- 208.994736 150.4
[M]+ 188.01952142 154.0
[M]- 188.02061858 154.0
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