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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	309.09102	168.2
[M+Na]+	331.07296	179.6
[M-H]-	307.07646	175.9
[M+NH4]+	326.11756	186.8
[M+K]+	347.04690	172.2
[M+H-H2O]+	291.08100	158.8
[M+HCOO]-	353.08194	187.4
[M+CH3COO]-	367.09759	180.4
[M+Na-2H]-	329.05841	177.5
[M]+	308.08319	170.0
[M]-	308.08429	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe