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 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

No literature data available for this compound.

Patent stripe

patents stripe