CID 70846

Clorindione

Structural Information

Molecular Formula

C₁₅H₉ClO₂

SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H

InChIKey

NJDUWAXIURWWLN-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 12
References: 2111
Patents: 256.0291 Da
Monoisotopic Mass: 3.5
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]+	257.03638	152.9
[M+Na]+	279.01832	169.3
[M+NH4]+	274.06292	163.0
[M+K]+	294.99226	162.0
[M-H]-	255.02182	157.9
[M+Na-2H]-	277.00377	161.2
[M]+	256.02855	157.1
[M]-	256.02965	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe