CID 45594314

Potassium [2-(ethoxycarbonyl)ethyl]trifluoroborate

Structural Information

Molecular Formula
C5H9BF3O2
SMILES
[B-](CCC(=O)OCC)(F)(F)F
InChI
InChI=1S/C5H9BF3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3/q-1
InChIKey
NHIZUXYFGMDVLQ-UHFFFAOYSA-N
Compound name
(3-ethoxy-3-oxopropyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

169.06477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.072046 129.5
[M+Na]+ 192.053988 137.1
[M-H]- 168.057494 124.3
[M+NH4]+ 187.098593 149.4
[M+K]+ 208.027928 136.9
[M+H-H2O]+ 152.062030 125.3
[M+HCOO]- 214.062971 147.8
[M+CH3COO]- 228.078621 175.4
[M+Na-2H]- 190.039436 133.5
[M]+ 169.06422142 125.7
[M]- 169.06531858 125.7
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

patents stripe