CID 19511

O-dibenz(a,h)anthracenequinone

Structural Information

Molecular Formula
C22H12O2
SMILES
C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C(=O)C(=O)C5=CC=CC=C54
InChI
InChI=1S/C22H12O2/c23-21-17-8-4-3-7-16(17)19-11-14-10-9-13-5-1-2-6-15(13)18(14)12-20(19)22(21)24/h1-12H
InChIKey
DFGKFNJIAICPFS-UHFFFAOYSA-N
Compound name
naphtho[1,2-b]phenanthrene-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.08374 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09102 169.5
[M+Na]+ 331.07296 189.7
[M+NH4]+ 326.11756 181.1
[M+K]+ 347.04690 178.0
[M-H]- 307.07646 176.3
[M+Na-2H]- 329.05841 178.4
[M]+ 308.08319 174.8
[M]- 308.08429 174.8
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

patents stripe