CID 155970839

Potassium [3-(chloromethyl)bicyclo[1.1.1]pentan-1-yl]trifluoroboranuide

Structural Information

Molecular Formula
C6H8BClF3
SMILES
[B-](C12CC(C1)(C2)CCl)(F)(F)F
InChI
InChI=1S/C6H8BClF3/c8-4-5-1-6(2-5,3-5)7(9,10)11/h1-4H2/q-1
InChIKey
MHRHTMZBMLQNBU-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)-1-bicyclo[1.1.1]pentanyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.03596 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04324 142.7
[M+Na]+ 206.02518 149.4
[M-H]- 182.02868 142.2
[M+NH4]+ 201.06978 149.7
[M+K]+ 221.99912 152.1
[M+H-H2O]+ 166.03322 132.5
[M+HCOO]- 228.03416 150.0
[M+CH3COO]- 242.04981 206.3
[M+Na-2H]- 204.01063 149.6
[M]+ 183.03541 163.8
[M]- 183.03651 163.8
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.