CID 155970723

Potassium tert-butyl n-[1-(trifluoroboranuidyl)propan-2-yl]carbamate

Structural Information

Molecular Formula
C8H16BF3NO2
SMILES
[B-](CC(C)NC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C8H16BF3NO2/c1-6(5-9(10,11)12)13-7(14)15-8(2,3)4/h6H,5H2,1-4H3,(H,13,14)/q-1
InChIKey
ZYTZQJKDDUSHFS-UHFFFAOYSA-N
Compound name
trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12990 146.6
[M+Na]+ 249.11184 152.5
[M-H]- 225.11534 141.3
[M+NH4]+ 244.15644 164.1
[M+K]+ 265.08578 152.3
[M+H-H2O]+ 209.11988 142.1
[M+HCOO]- 271.12082 162.4
[M+CH3COO]- 285.13647 188.9
[M+Na-2H]- 247.09729 149.1
[M]+ 226.12207 141.6
[M]- 226.12317 141.6
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.