CID 367978

Nsc638189

Structural Information

Molecular Formula
C22H15FO2
SMILES
C1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H15FO2/c23-19-13-11-16(12-14-19)15-20(21(24)17-7-3-1-4-8-17)22(25)18-9-5-2-6-10-18/h1-15H
InChIKey
DOEGZENDHGHBRQ-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylidene]-1,3-diphenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

330.10562 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11290 177.7
[M+Na]+ 353.09484 182.9
[M-H]- 329.09834 185.3
[M+NH4]+ 348.13944 190.0
[M+K]+ 369.06878 176.9
[M+H-H2O]+ 313.10288 167.4
[M+HCOO]- 375.10382 197.4
[M+CH3COO]- 389.11947 209.3
[M+Na-2H]- 351.08029 178.8
[M]+ 330.10507 174.8
[M]- 330.10617 174.8
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

No patent data available for this compound.