CID 155895621

2416056-46-5

Structural Information

Molecular Formula
C10H14BF5NO2
SMILES
[B-](C1C2(C1(F)F)CN(C2)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C10H14BF5NO2/c1-8(2,3)19-7(18)17-4-9(5-17)6(10(9,12)13)11(14,15)16/h6H,4-5H2,1-3H3/q-1
InChIKey
DNHUSJQNFNDION-UHFFFAOYSA-N
Compound name
[2,2-difluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.3]hexan-1-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.10376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11104 157.9
[M+Na]+ 309.09298 167.1
[M-H]- 285.09648 156.1
[M+NH4]+ 304.13758 165.7
[M+K]+ 325.06692 167.7
[M+H-H2O]+ 269.10102 148.6
[M+HCOO]- 331.10196 167.7
[M+CH3COO]- 345.11761 201.6
[M+Na-2H]- 307.07843 161.1
[M]+ 286.10321 162.1
[M]- 286.10431 162.1
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.