CID 165992096

En300-37467959

Structural Information

Molecular Formula
C10H16BF3NO3
SMILES
[B-]([C@H]1[C@H]2[C@@H]1OCCN2C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C10H16BF3NO3/c1-10(2,3)18-9(16)15-4-5-17-8-6(7(8)15)11(12,13)14/h6-8H,4-5H2,1-3H3/q-1/t6-,7-,8+/m0/s1
InChIKey
NHYKFNVTZUMKEB-BIIVOSGPSA-N
Compound name
trifluoro-[(1R,6S,7S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[4.1.0]heptan-7-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11752 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12480 156.2
[M+Na]+ 289.10674 164.9
[M-H]- 265.11024 155.2
[M+NH4]+ 284.15134 166.4
[M+K]+ 305.08068 163.1
[M+H-H2O]+ 249.11478 149.9
[M+HCOO]- 311.11572 166.6
[M+CH3COO]- 325.13137 195.8
[M+Na-2H]- 287.09219 160.3
[M]+ 266.11697 154.2
[M]- 266.11807 154.2
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.