CID 3084690

(3,3'-bi-7h-benz(de)anthracene)-7,7'-dione, 9,9'-dinitro-

Structural Information

Molecular Formula
C34H16N2O6
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=C6C=CC=C7C6=C(C=C5)C8=C(C7=O)C=C(C=C8)[N+](=O)[O-]
InChI
InChI=1S/C34H16N2O6/c37-33-27-5-1-3-23-19(11-13-25(31(23)27)21-9-7-17(35(39)40)15-29(21)33)20-12-14-26-22-10-8-18(36(41)42)16-30(22)34(38)28-6-2-4-24(20)32(26)28/h1-16H
InChIKey
SUVZNHFNCGLZMN-UHFFFAOYSA-N
Compound name
9-nitro-3-(9-nitro-7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.1008 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.10808 224.5
[M+Na]+ 571.09002 225.8
[M-H]- 547.09352 232.3
[M+NH4]+ 566.13462 229.7
[M+K]+ 587.06396 213.0
[M+H-H2O]+ 531.09806 215.4
[M+HCOO]- 593.09900 235.6
[M+CH3COO]- 607.11465 248.5
[M+Na-2H]- 569.07547 233.7
[M]+ 548.10025 223.7
[M]- 548.10135 223.7
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

No patent data available for this compound.