CID 132398626

1577289-26-9

Structural Information

Molecular Formula
C8H16BF3NO2
SMILES
[B-](CCCNC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C8H16BF3NO2/c1-8(2,3)15-7(14)13-6-4-5-9(10,11)12/h4-6H2,1-3H3,(H,13,14)/q-1
InChIKey
KMZAAXAVVSKRBB-UHFFFAOYSA-N
Compound name
trifluoro-[3-[(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 147.4
[M+Na]+ 249.11184 153.5
[M-H]- 225.11534 142.0
[M+NH4]+ 244.15644 165.0
[M+K]+ 265.08578 152.8
[M+H-H2O]+ 209.11988 142.8
[M+HCOO]- 271.12082 164.2
[M+CH3COO]- 285.13647 188.2
[M+Na-2H]- 247.09729 151.1
[M]+ 226.12207 143.1
[M]- 226.12317 143.1
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.