CID 155820146

Rac-potassium [(1r,2r)-2-(4,4-difluorocyclohexyl)cyclopropyl]trifluoroboranuide

Structural Information

Molecular Formula
C9H13BF5
SMILES
[B-]([C@@H]1C[C@H]1C2CCC(CC2)(F)F)(F)(F)F
InChI
InChI=1S/C9H13BF5/c11-9(12)3-1-6(2-4-9)7-5-8(7)10(13,14)15/h6-8H,1-5H2/q-1/t7-,8+/m0/s1
InChIKey
JRLYLRJWPIVQPV-JGVFFNPUSA-N
Compound name
[(1R,2R)-2-(4,4-difluorocyclohexyl)cyclopropyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10304 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11032 160.6
[M+Na]+ 250.09226 165.5
[M+NH4]+ 245.13686 165.5
[M+K]+ 266.06620 161.9
[M-H]- 226.09576 161.1
[M+Na-2H]- 248.07771 163.6
[M]+ 227.10249 161.7
[M]- 227.10359 161.7
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.