CID 290624

14938-60-4

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 181.0
[M+Na]+ 359.10424 189.3
[M-H]- 335.10774 192.1
[M+NH4]+ 354.14884 196.4
[M+K]+ 375.07818 183.8
[M+H-H2O]+ 319.11228 169.7
[M+HCOO]- 381.11322 199.2
[M+CH3COO]- 395.12887 191.9
[M+Na-2H]- 357.08969 189.1
[M]+ 336.11447 180.8
[M]- 336.11557 180.8
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.