CID 14470146

24542-74-3

Structural Information

Molecular Formula

C₁₄H₇Cl₂NO₂

SMILES

C1=CC=C2C(=C1)C(=O)C(=O)N2C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C14H7Cl2NO2/c15-9-5-3-6-10(16)12(9)17-11-7-2-1-4-8(11)13(18)14(17)19/h1-7H

InChIKey

MGEGDVKBXGZTRM-UHFFFAOYSA-N

Compound name

1-(2,6-dichlorophenyl)indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 290.98538 Da
Monoisotopic Mass: 3.4
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]+	291.99266	161.3
[M+Na]+	313.97460	174.4
[M-H]-	289.97810	167.8
[M+NH4]+	309.01920	180.1
[M+K]+	329.94854	167.1
[M+H-H2O]+	273.98264	155.2
[M+HCOO]-	335.98358	174.3
[M+CH3COO]-	349.99923	174.4
[M+Na-2H]-	311.96005	163.6
[M]+	290.98483	165.7
[M]-	290.98593	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe