CID 73711

1526-73-4

Structural Information

Molecular Formula

C₁₀H₅ClO₃

SMILES

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

InChI

InChI=1S/C10H5ClO3/c11-7-8(12)5-3-1-2-4-6(5)9(13)10(7)14/h1-4,12H

InChIKey

FQTBBCHDEDQCQR-UHFFFAOYSA-N

Compound name

3-chloro-4-hydroxynaphthalene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 47
Patents: 207.99272 Da
Monoisotopic Mass: 1.7
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]+	209.00000	135.8
[M+Na]+	230.98194	147.8
[M-H]-	206.98544	140.1
[M+NH4]+	226.02654	156.7
[M+K]+	246.95588	142.9
[M+H-H2O]+	190.98998	131.8
[M+HCOO]-	252.99092	153.5
[M+CH3COO]-	267.00657	182.5
[M+Na-2H]-	228.96739	142.3
[M]+	207.99217	138.2
[M]-	207.99327	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe