CID 4303687

112246-74-9

Structural Information

Molecular Formula
C20H34BBr
SMILES
B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)Br
InChI
InChI=1S/C20H34BBr/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3
InChIKey
FKBAVEASVZAXFW-UHFFFAOYSA-N
Compound name
bromo-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

364.1937 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20098 211.3
[M+Na]+ 387.18292 214.5
[M-H]- 363.18642 211.2
[M+NH4]+ 382.22752 224.7
[M+K]+ 403.15686 209.1
[M+H-H2O]+ 347.19096 203.3
[M+HCOO]- 409.19190 208.4
[M+CH3COO]- 423.20755 216.2
[M+Na-2H]- 385.16837 212.3
[M]+ 364.19315 241.5
[M]- 364.19425 241.5
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