CID 164510835

2826264-35-9

Structural Information

Molecular Formula
C15H24BF3NO2
SMILES
[B-](C12CC(C1)(C2)C3CCN(CC3)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C15H24BF3NO2/c1-13(2,3)22-12(21)20-6-4-11(5-7-20)14-8-15(9-14,10-14)16(17,18)19/h11H,4-10H2,1-3H3/q-1
InChIKey
REBIRSQRHOQSPE-UHFFFAOYSA-N
Compound name
trifluoro-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1-bicyclo[1.1.1]pentanyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19248 189.7
[M+Na]+ 341.17442 191.0
[M-H]- 317.17792 188.7
[M+NH4]+ 336.21902 190.0
[M+K]+ 357.14836 195.9
[M+H-H2O]+ 301.18246 175.2
[M+HCOO]- 363.18340 192.3
[M+CH3COO]- 377.19905 225.0
[M+Na-2H]- 339.15987 191.0
[M]+ 318.18465 207.4
[M]- 318.18575 207.4
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.