CID 15833095

40149-83-5

Structural Information

Molecular Formula

C₁₀H₈INO₂

SMILES

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

InChI

InChI=1S/C10H8INO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2

InChIKey

IMUTXBXKJDBQOY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 26
Patents: 300.96 Da
Monoisotopic Mass: 2.6
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]+	301.96728	141.9
[M+Na]+	323.94922	145.1
[M-H]-	299.95272	138.5
[M+NH4]+	318.99382	158.3
[M+K]+	339.92316	147.9
[M+H-H2O]+	283.95726	132.6
[M+HCOO]-	345.95820	159.7
[M+CH3COO]-	359.97385	191.7
[M+Na-2H]-	321.93467	135.3
[M]+	300.95945	140.9
[M]-	300.96055	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe