CID 255297

3,4,5-triphenylcyclopent-3-ene-1,2-dione

Structural Information

Molecular Formula
C23H16O2
SMILES
C1=CC=C(C=C1)C2C(=C(C(=O)C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H16O2/c24-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23(22)25)18-14-8-3-9-15-18/h1-15,20H
InChIKey
WNICCJYXHMFPLS-UHFFFAOYSA-N
Compound name
3,4,5-triphenylcyclopent-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.11502 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12230 176.9
[M+Na]+ 347.10424 185.2
[M-H]- 323.10774 190.2
[M+NH4]+ 342.14884 192.1
[M+K]+ 363.07818 178.5
[M+H-H2O]+ 307.11228 167.6
[M+HCOO]- 369.11322 200.8
[M+CH3COO]- 383.12887 188.9
[M+Na-2H]- 345.08969 177.9
[M]+ 324.11447 176.0
[M]- 324.11557 176.0
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

patents stripe