CID 265897

Q 8 2-hydroxy-3-(2-naphthyl)-1,4-naphthoquinone

Structural Information

Molecular Formula
C20H12O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI
InChI=1S/C20H12O3/c21-18-15-7-3-4-8-16(15)19(22)20(23)17(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,21H
InChIKey
VFMNBGNJCNFCTA-UHFFFAOYSA-N
Compound name
4-hydroxy-3-naphthalen-2-ylnaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.07864 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08592 166.8
[M+Na]+ 323.06786 176.8
[M-H]- 299.07136 174.6
[M+NH4]+ 318.11246 183.2
[M+K]+ 339.04180 170.5
[M+H-H2O]+ 283.07590 158.4
[M+HCOO]- 345.07684 186.3
[M+CH3COO]- 359.09249 178.7
[M+Na-2H]- 321.05331 172.8
[M]+ 300.07809 166.7
[M]- 300.07919 166.7
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

No patent data available for this compound.