CID 71696867

1430219-73-0

Structural Information

Molecular Formula
C8H14BF3NO2
SMILES
[B-](C1CN(C1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C8H14BF3NO2/c1-8(2,3)15-7(14)13-4-6(5-13)9(10,11)12/h6H,4-5H2,1-3H3/q-1
InChIKey
YLEBDYTXMGVBKQ-UHFFFAOYSA-N
Compound name
trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]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 146.2
[M+Na]+ 247.09618 152.1
[M-H]- 223.09968 143.1
[M+NH4]+ 242.14078 156.6
[M+K]+ 263.07012 154.4
[M+H-H2O]+ 207.10422 135.9
[M+HCOO]- 269.10516 159.1
[M+CH3COO]- 283.12081 188.5
[M+Na-2H]- 245.08163 148.7
[M]+ 224.10641 149.3
[M]- 224.10751 149.3
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.