CID 265898

Mls002701634

Structural Information

Molecular Formula

C₂₀H₁₂O₃

SMILES

C1=CC=C2C(=C1)C=CC(=C2C3=CC(=O)C(=O)C4=CC=CC=C43)O

InChI

InChI=1S/C20H12O3/c21-17-10-9-12-5-1-2-6-13(12)19(17)16-11-18(22)20(23)15-8-4-3-7-14(15)16/h1-11,21H

InChIKey

CEFYNLRCBQRIBG-UHFFFAOYSA-N

Compound name

4-(2-hydroxynaphthalen-1-yl)naphthalene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3
Patents: 300.07864 Da
Monoisotopic Mass: 3.6
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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe