CID 138040251

Potassium {3-[(tert-butoxy)carbonyl]-7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl}trifluoroboranuide

Structural Information

Molecular Formula
C11H16BF5NO2
SMILES
[B-](C12CN(CCC1C2(F)F)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C11H16BF5NO2/c1-9(2,3)20-8(19)18-5-4-7-10(6-18,11(7,13)14)12(15,16)17/h7H,4-6H2,1-3H3/q-1
InChIKey
XJESDCCCKFWGFQ-UHFFFAOYSA-N
Compound name
[7,7-difluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[4.1.0]heptan-1-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.11942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12670 160.4
[M+Na]+ 323.10864 170.0
[M-H]- 299.11214 156.5
[M+NH4]+ 318.15324 174.1
[M+K]+ 339.08258 167.8
[M+H-H2O]+ 283.11668 154.8
[M+HCOO]- 345.11762 168.5
[M+CH3COO]- 359.13327 201.2
[M+Na-2H]- 321.09409 164.4
[M]+ 300.11887 155.2
[M]- 300.11997 155.2
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.