CID 101910805

Potassium (3-(ethoxycarbonyl)benzoyl)trifluoroborate

Structural Information

Molecular Formula
C10H9BF3O3
SMILES
[B-](C(=O)C1=CC(=CC=C1)C(=O)OCC)(F)(F)F
InChI
InChI=1S/C10H9BF3O3/c1-2-17-10(16)8-5-3-4-7(6-8)9(15)11(12,13)14/h3-6H,2H2,1H3/q-1
InChIKey
LJJLRBXSQNLEFJ-UHFFFAOYSA-N
Compound name
(3-ethoxycarbonylbenzoyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.05968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06696 151.9
[M+Na]+ 268.04890 159.5
[M+NH4]+ 263.09350 155.6
[M+K]+ 284.02284 156.6
[M-H]- 244.05240 147.0
[M+Na-2H]- 266.03435 153.8
[M]+ 245.05913 150.8
[M]- 245.06023 150.8
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.