CID 14267906

120159-43-5

Structural Information

Molecular Formula
C6H9Br
SMILES
C1C2CC1C(C2)Br
InChI
InChI=1S/C6H9Br/c7-6-3-4-1-5(6)2-4/h4-6H,1-3H2
InChIKey
BPBRHLYWEZJHFY-UHFFFAOYSA-N
Compound name
2-bromobicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.98875 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 128.8
[M+Na]+ 182.97797 139.7
[M-H]- 158.98147 133.4
[M+NH4]+ 178.02257 154.1
[M+K]+ 198.95191 133.4
[M+H-H2O]+ 142.98601 128.5
[M+HCOO]- 204.98695 146.6
[M+CH3COO]- 219.00260 144.6
[M+Na-2H]- 180.96342 137.8
[M]+ 159.98820 156.8
[M]- 159.98930 156.8
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

No patent data available for this compound.