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]+ 212.11900 143.5
[M+Na]+ 234.10094 149.7
[M-H]- 210.10444 137.8
[M+NH4]+ 229.14554 161.7
[M+K]+ 250.07488 149.1
[M+H-H2O]+ 194.10898 138.8
[M+HCOO]- 256.10992 159.8
[M+CH3COO]- 270.12557 185.3
[M+Na-2H]- 232.08639 144.7
[M]+ 211.11117 140.1
[M]- 211.11227 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.