CID 138991087

Potassium (1-{[(tert-butoxy)carbonyl]amino}cyclopropyl)trifluoroboranuide

Structural Information

Molecular Formula
C8H14BF3NO2
SMILES
[B-](C1(CC1)NC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C8H14BF3NO2/c1-7(2,3)15-6(14)13-8(4-5-8)9(10,11)12/h4-5H2,1-3H3,(H,13,14)/q-1
InChIKey
KEGNUBKYGPBWJX-UHFFFAOYSA-N
Compound name
trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11424 140.1
[M+Na]+ 247.09618 148.4
[M-H]- 223.09968 139.5
[M+NH4]+ 242.14078 154.8
[M+K]+ 263.07012 147.1
[M+H-H2O]+ 207.10422 136.1
[M+HCOO]- 269.10516 157.0
[M+CH3COO]- 283.12081 189.1
[M+Na-2H]- 245.08163 146.1
[M]+ 224.10641 137.9
[M]- 224.10751 137.9
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.