CID 386891

4,4'-bi(1,2-naphthoquinone)

Structural Information

Molecular Formula
C20H10O4
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)C3=CC(=O)C(=O)C4=CC=CC=C43
InChI
InChI=1S/C20H10O4/c21-17-9-15(11-5-1-3-7-13(11)19(17)23)16-10-18(22)20(24)14-8-4-2-6-12(14)16/h1-10H
InChIKey
STWDPXLKJOBSQW-UHFFFAOYSA-N
Compound name
4-(3,4-dioxonaphthalen-1-yl)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.05792 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06520 167.9
[M+Na]+ 337.04714 178.5
[M-H]- 313.05064 177.1
[M+NH4]+ 332.09174 184.3
[M+K]+ 353.02108 172.9
[M+H-H2O]+ 297.05518 159.2
[M+HCOO]- 359.05612 188.0
[M+CH3COO]- 373.07177 180.3
[M+Na-2H]- 335.03259 172.8
[M]+ 314.05737 168.6
[M]- 314.05847 168.6
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