CID 165981187

En300-28227489

Structural Information

Molecular Formula
C9H16BF3NO2
SMILES
[B-](C1(CN(C1)C(=O)OC(C)(C)C)C)(F)(F)F
InChI
InChI=1S/C9H16BF3NO2/c1-8(2,3)16-7(15)14-5-9(4,6-14)10(11,12)13/h5-6H2,1-4H3/q-1
InChIKey
UYYWEACSWREHNJ-UHFFFAOYSA-N
Compound name
trifluoro-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-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 151.5
[M+Na]+ 261.11184 157.8
[M-H]- 237.11534 148.6
[M+NH4]+ 256.15644 163.3
[M+K]+ 277.08578 160.0
[M+H-H2O]+ 221.11988 142.6
[M+HCOO]- 283.12082 164.0
[M+CH3COO]- 297.13647 191.0
[M+Na-2H]- 259.09729 154.7
[M]+ 238.12207 155.3
[M]- 238.12317 155.3
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.