CID 290624

3,3-diphenyl-1h,3h-benzo[de]isochromen-1-one

Structural Information

Molecular Formula
C24H16O2
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(=O)O2)C5=CC=CC=C5
InChI
InChI=1S/C24H16O2/c25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(26-23,18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16H
InChIKey
FFLUSACBFUTHFY-UHFFFAOYSA-N
Compound name
4,4-diphenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.11502 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12230 179.8
[M+Na]+ 359.10424 199.5
[M+NH4]+ 354.14884 192.3
[M+K]+ 375.07818 186.1
[M-H]- 335.10774 190.2
[M+Na-2H]- 357.08969 192.4
[M]+ 336.11447 186.3
[M]- 336.11557 186.3
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.