CID 46737831

1171919-75-7

Structural Information

Molecular Formula

C₆H₂ClIN₂

SMILES

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

InChI

InChI=1S/C6H2ClIN2/c7-6-4(3-9)5(8)1-2-10-6/h1-2H

InChIKey

BQFOSZGLMPGGLY-UHFFFAOYSA-N

Compound name

2-chloro-4-iodopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 263.8951 Da
Monoisotopic Mass: 2.2
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]+	264.90238	131.7
[M+Na]+	286.88432	137.8
[M-H]-	262.88782	127.8
[M+NH4]+	281.92892	146.0
[M+K]+	302.85826	138.8
[M+H-H2O]+	246.89236	117.3
[M+HCOO]-	308.89330	143.6
[M+CH3COO]-	322.90895	195.6
[M+Na-2H]-	284.86977	128.2
[M]+	263.89455	126.4
[M]-	263.89565	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe