CID 594275

9-bromo-9-borabicyclo[3.3.1]nonane

Structural Information

Molecular Formula
C8H14BBr
SMILES
B1(C2CCCC1CCC2)Br
InChI
InChI=1S/C8H14BBr/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2
InChIKey
FYZDPIIMSZAKGP-UHFFFAOYSA-N
Compound name
9-bromo-9-borabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

200.03719 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04447 139.0
[M+Na]+ 223.02641 147.3
[M-H]- 199.02991 143.7
[M+NH4]+ 218.07101 163.2
[M+K]+ 239.00035 137.1
[M+H-H2O]+ 183.03445 140.2
[M+HCOO]- 245.03539 154.0
[M+CH3COO]- 259.05104 182.9
[M+Na-2H]- 221.01186 146.5
[M]+ 200.03664 151.6
[M]- 200.03774 151.6
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