CID 165646838

Potassium {3-tert-butylbicyclo[1.1.1]pentan-1-yl}trifluoroboranuide

Structural Information

Molecular Formula
C9H15BF3
SMILES
[B-](C12CC(C1)(C2)C(C)(C)C)(F)(F)F
InChI
InChI=1S/C9H15BF3/c1-7(2,3)8-4-9(5-8,6-8)10(11,12)13/h4-6H2,1-3H3/q-1
InChIKey
ZMKVOPAQCLPVMR-UHFFFAOYSA-N
Compound name
(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.12189 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12917 161.8
[M+Na]+ 214.11111 166.7
[M-H]- 190.11461 161.5
[M+NH4]+ 209.15571 167.9
[M+K]+ 230.08505 171.0
[M+H-H2O]+ 174.11915 150.7
[M+HCOO]- 236.12009 169.9
[M+CH3COO]- 250.13574 209.9
[M+Na-2H]- 212.09656 167.3
[M]+ 191.12134 181.6
[M]- 191.12244 181.6
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.