CID 12180892

827616-54-6

Structural Information

Molecular Formula

C₆H₂I₂N₂

SMILES

C1=CN=C(C(=C1I)C#N)I

InChI

InChI=1S/C6H2I2N2/c7-5-1-2-10-6(8)4(5)3-9/h1-2H

InChIKey

INCJBCHICXNSJJ-UHFFFAOYSA-N

Compound name

2,4-diiodopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.83075 Da
Monoisotopic Mass: 1.9
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]+	356.83803	135.1
[M+Na]+	378.81997	132.7
[M-H]-	354.82347	126.9
[M+NH4]+	373.86457	143.6
[M+K]+	394.79391	140.8
[M+H-H2O]+	338.82801	119.1
[M+HCOO]-	400.82895	145.0
[M+CH3COO]-	414.84460	207.9
[M+Na-2H]-	376.80542	126.1
[M]+	355.83020	127.1
[M]-	355.83130	127.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.