CID 9923113

112246-73-8

Structural Information

Molecular Formula
C20H34BCl
SMILES
B([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)([C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)Cl
InChI
InChI=1S/C20H34BCl/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/t11-,12-,13+,14+,15-,16-,17-,18-/m0/s1
InChIKey
PSEHHVRCDVOTID-NAVXHOJHSA-N
Compound name
chloro-bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1234
Patents

320.2442 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25148 215.5
[M+Na]+ 343.23342 217.7
[M-H]- 319.23692 213.0
[M+NH4]+ 338.27802 228.2
[M+K]+ 359.20736 216.3
[M+H-H2O]+ 303.24146 202.8
[M+HCOO]- 365.24240 210.0
[M+CH3COO]- 379.25805 218.9
[M+Na-2H]- 341.21887 215.1
[M]+ 320.24365 233.7
[M]- 320.24475 233.7
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

No patent data available for this compound.