CID 155822504

Potassium (1-ethoxy-1-oxohexan-3-yl)trifluoroboranuide

Structural Information

Molecular Formula
C8H15BF3O2
SMILES
[B-](C(CCC)CC(=O)OCC)(F)(F)F
InChI
InChI=1S/C8H15BF3O2/c1-3-5-7(9(10,11)12)6-8(13)14-4-2/h7H,3-6H2,1-2H3/q-1
InChIKey
CVMIGVVTKNKWNO-UHFFFAOYSA-N
Compound name
(1-ethoxy-1-oxohexan-3-yl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11172 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.118996 143.5
[M+Na]+ 234.100938 149.7
[M-H]- 210.104444 137.8
[M+NH4]+ 229.145543 161.7
[M+K]+ 250.074878 149.1
[M+H-H2O]+ 194.108980 138.8
[M+HCOO]- 256.109921 159.8
[M+CH3COO]- 270.125571 185.3
[M+Na-2H]- 232.086386 144.7
[M]+ 211.11117142 140.1
[M]- 211.11226858 140.1
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.