CID 3625310

4-fluorobenzil

Structural Information

Molecular Formula
C14H9FO2
SMILES
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H9FO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H
InChIKey
JKQPFVOJZNRINB-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-phenylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

228.05865 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06593 146.9
[M+Na]+ 251.04787 154.5
[M-H]- 227.05137 152.5
[M+NH4]+ 246.09247 164.4
[M+K]+ 267.02181 151.0
[M+H-H2O]+ 211.05591 138.9
[M+HCOO]- 273.05685 169.1
[M+CH3COO]- 287.07250 190.0
[M+Na-2H]- 249.03332 151.3
[M]+ 228.05810 145.5
[M]- 228.05920 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe