CID 46738074

Potassium 4-ethoxycarbonyl phenytrifluoroborate

Structural Information

Molecular Formula
C9H9BF3O2
SMILES
[B-](C1=CC=C(C=C1)C(=O)OCC)(F)(F)F
InChI
InChI=1S/C9H9BF3O2/c1-2-15-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3/q-1
InChIKey
ZRZCMYPMBRCPOX-UHFFFAOYSA-N
Compound name
(4-ethoxycarbonylphenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.06477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07205 138.5
[M+Na]+ 240.05399 146.6
[M-H]- 216.05749 136.7
[M+NH4]+ 235.09859 156.5
[M+K]+ 256.02793 144.6
[M+H-H2O]+ 200.06203 132.9
[M+HCOO]- 262.06297 157.1
[M+CH3COO]- 276.07862 183.8
[M+Na-2H]- 238.03944 142.5
[M]+ 217.06422 134.1
[M]- 217.06532 134.1
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.