CID 67010

116-96-1

Structural Information

Molecular Formula
C34H18O2
SMILES
C1=CC=C2C(=C1)C3=C4C(=C(C=C3)C5=C6C=CC=C7C6=C(C=C5)C8=CC=CC=C8C7=O)C=CC=C4C2=O
InChI
InChI=1S/C34H18O2/c35-33-27-9-3-1-7-19(27)25-17-15-21(23-11-5-13-29(33)31(23)25)22-16-18-26-20-8-2-4-10-28(20)34(36)30-14-6-12-24(22)32(26)30/h1-18H
InChIKey
ZSNLOGRWRVNZRH-UHFFFAOYSA-N
Compound name
3-(7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
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 213.8
[M+Na]+ 481.11990 237.3
[M+NH4]+ 476.16450 226.2
[M+K]+ 497.09384 222.1
[M-H]- 457.12340 224.0
[M+Na-2H]- 479.10535 222.3
[M]+ 458.13013 221.0
[M]- 458.13123 221.0
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