CID 11716646

890171-20-7

Structural Information

Molecular Formula

C₁₁H₁₀INO₂

SMILES

CCCN1C2=C(C=C(C=C2)I)C(=O)C1=O

InChI

InChI=1S/C11H10INO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h3-4,6H,2,5H2,1H3

InChIKey

FHXKQEFQCDBMSD-UHFFFAOYSA-N

Compound name

5-iodo-1-propylindole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 314.97562 Da
Monoisotopic Mass: 2.4
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]+	315.98290	145.7
[M+Na]+	337.96484	149.3
[M-H]-	313.96834	142.5
[M+NH4]+	333.00944	161.9
[M+K]+	353.93878	151.9
[M+H-H2O]+	297.97288	136.5
[M+HCOO]-	359.97382	163.1
[M+CH3COO]-	373.98947	195.7
[M+Na-2H]-	335.95029	138.0
[M]+	314.97507	145.4
[M]-	314.97617	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe