CID 11138941

3-cyano-4-iodopyridine

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H3IN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H

InChIKey

CJKHIIQONPNAIP-UHFFFAOYSA-N

Compound name

4-iodopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 229.9341 Da
Monoisotopic Mass: 1.2
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]+	230.94138	128.6
[M+Na]+	252.92332	133.0
[M-H]-	228.92682	124.4
[M+NH4]+	247.96792	142.9
[M+K]+	268.89726	135.8
[M+H-H2O]+	212.93136	113.2
[M+HCOO]-	274.93230	144.3
[M+CH3COO]-	288.94795	191.5
[M+Na-2H]-	250.90877	125.8
[M]+	229.93355	121.3
[M]-	229.93465	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe