CID 138991087

2542181-79-1

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 154.9
[M+Na]+ 247.09618 160.2
[M+NH4]+ 242.14078 160.1
[M+K]+ 263.07012 158.5
[M-H]- 223.09968 155.6
[M+Na-2H]- 245.08163 158.5
[M]+ 224.10641 156.2
[M]- 224.10751 156.2
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.