CID 45594314

Borate(1-), (3-ethoxy-3-oxopropyl)trifluoro-, potassium (1:1), (t-4)-

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

0
Patents

169.06477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07205 129.5
[M+Na]+ 192.05399 137.1
[M-H]- 168.05749 124.3
[M+NH4]+ 187.09859 149.4
[M+K]+ 208.02793 136.9
[M+H-H2O]+ 152.06203 125.3
[M+HCOO]- 214.06297 147.8
[M+CH3COO]- 228.07862 175.4
[M+Na-2H]- 190.03944 133.5
[M]+ 169.06422 125.7
[M]- 169.06532 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

No patent data available for this compound.