CID 138991264

Potassium [(1r,6s,7r)-bicyclo[4.1.0]heptan-7-yl]trifluoroboranuide

Structural Information

Molecular Formula
C7H11BF3
SMILES
[B-](C1[C@H]2[C@@H]1CCCC2)(F)(F)F
InChI
InChI=1S/C7H11BF3/c9-8(10,11)7-5-3-1-2-4-6(5)7/h5-7H,1-4H2/q-1/t5-,6+,7?
InChIKey
XXNAUSFIRLUSFS-MEKDEQNOSA-N
Compound name
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09059 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09787 125.6
[M+Na]+ 186.07981 134.1
[M-H]- 162.08331 125.2
[M+NH4]+ 181.12441 141.9
[M+K]+ 202.05375 131.3
[M+H-H2O]+ 146.08785 120.0
[M+HCOO]- 208.08879 141.1
[M+CH3COO]- 222.10444 179.4
[M+Na-2H]- 184.06526 131.0
[M]+ 163.09004 118.9
[M]- 163.09114 118.9
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.