CID 71698036

1430219-72-9

Structural Information

Molecular Formula
C9H16BF3NO2
SMILES
[B-](C1CCN(C1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C9H16BF3NO2/c1-9(2,3)16-8(15)14-5-4-7(6-14)10(11,12)13/h7H,4-6H2,1-3H3/q-1
InChIKey
MMFBWBFDEMUSFK-UHFFFAOYSA-N
Compound name
trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12990 155.0
[M+Na]+ 261.11184 159.6
[M+NH4]+ 256.15644 158.4
[M+K]+ 277.08578 159.4
[M-H]- 237.11534 148.5
[M+Na-2H]- 259.09729 154.1
[M]+ 238.12207 153.0
[M]- 238.12317 153.0
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.