CID 10141

Naphthazarin

Structural Information

Molecular Formula

C₁₀H₆O₄

SMILES

C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O

InChI

InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H

InChIKey

RQNVIKXOOKXAJQ-UHFFFAOYSA-N

Compound name

5,8-dihydroxynaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 111
References: 1749
Patents: 190.02661 Da
Monoisotopic Mass: 1.8
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]+	191.033886	133.3
[M+Na]+	213.015828	143.9
[M-H]-	189.019334	136.4
[M+NH4]+	208.060433	153.2
[M+K]+	228.989768	140.6
[M+H-H2O]+	173.023870	128.5
[M+HCOO]-	235.024811	154.2
[M+CH3COO]-	249.040461	178.5
[M+Na-2H]-	211.001276	139.8
[M]+	190.02606142	133.3
[M]-	190.02715858	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe