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]+ 337.122296 181.0
[M+Na]+ 359.104238 189.3
[M-H]- 335.107744 192.1
[M+NH4]+ 354.148843 196.4
[M+K]+ 375.078178 183.8
[M+H-H2O]+ 319.112280 169.7
[M+HCOO]- 381.113221 199.2
[M+CH3COO]- 395.128871 191.9
[M+Na-2H]- 357.089686 189.1
[M]+ 336.11447142 180.8
[M]- 336.11556858 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.