CID 230283

5457-29-4

Structural Information

Molecular Formula

C₁₁H₁₀INO₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCI

InChI

InChI=1S/C11H10INO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2

InChIKey

LKSISOJOXOBDGH-UHFFFAOYSA-N

Compound name

2-(3-iodopropyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 75
Patents: 314.97562 Da
Monoisotopic Mass: 2.9
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]+	315.98290	153.3
[M+Na]+	337.96484	157.8
[M+NH4]+	333.00944	156.9
[M+K]+	353.93878	156.1
[M-H]-	313.96834	148.1
[M+Na-2H]-	335.95029	145.0
[M]+	314.97507	151.2
[M]-	314.97617	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe