CID 121364

1,3-indandione, 2-(p-iodophenyl)-

Structural Information

Molecular Formula

C₁₅H₉IO₂

SMILES

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

InChI

InChI=1S/C15H9IO2/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

UTLQYSLZKWYNOX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 347.96472 Da
Monoisotopic Mass: 3.6
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]+	348.97200	163.6
[M+Na]+	370.95394	170.6
[M+NH4]+	365.99854	168.6
[M+K]+	386.92788	167.4
[M-H]-	346.95744	161.9
[M+Na-2H]-	368.93939	158.3
[M]+	347.96417	163.1
[M]-	347.96527	163.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.