CID 61043

Dibenzonyl

Structural Information

Molecular Formula
C34H18O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC4=C(C=CC(=C43)C2=O)C5=C6C=CC=C7C6=C(C=C5)C(=O)C8=CC=CC=C87
InChI
InChI=1S/C34H18O2/c35-33-27-9-3-1-7-19(27)23-11-5-13-25-21(15-17-29(33)31(23)25)22-16-18-30-32-24(12-6-14-26(22)32)20-8-2-4-10-28(20)34(30)36/h1-18H
InChIKey
FEQOTXWZPMPKGW-UHFFFAOYSA-N
Compound name
4-(7-oxobenzo[a]phenalen-4-yl)benzo[a]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

458.13068 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.13796 211.0
[M+Na]+ 481.11990 219.6
[M-H]- 457.12340 220.4
[M+NH4]+ 476.16450 223.5
[M+K]+ 497.09384 210.3
[M+H-H2O]+ 441.12794 195.2
[M+HCOO]- 503.12888 223.0
[M+CH3COO]- 517.14453 218.3
[M+Na-2H]- 479.10535 217.4
[M]+ 458.13013 212.3
[M]- 458.13123 212.3
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

patents stripe