CID 13891

2-chloro-1,4-naphthoquinone

Structural Information

Molecular Formula

C₁₀H₅ClO₂

SMILES

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

InChI

InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H

InChIKey

CCTJHVLTAJTPBV-UHFFFAOYSA-N

Compound name

2-chloronaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 560
Patents: 191.9978 Da
Monoisotopic Mass: 2.3
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]+	193.00508	132.8
[M+Na]+	214.98702	144.4
[M-H]-	190.99052	138.1
[M+NH4]+	210.03162	154.8
[M+K]+	230.96096	139.8
[M+H-H2O]+	174.99506	128.4
[M+HCOO]-	236.99600	151.8
[M+CH3COO]-	251.01165	181.7
[M+Na-2H]-	212.97247	140.4
[M]+	191.99725	135.2
[M]-	191.99835	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe