CID 119098815

1309866-36-1

Structural Information

Molecular Formula

C₆H₂Cl₂INO

SMILES

C1=C(C(=C(N=C1Cl)Cl)C=O)I

InChI

InChI=1S/C6H2Cl2INO/c7-5-1-4(9)3(2-11)6(8)10-5/h1-2H

InChIKey

INXWDQLSOMJGLG-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-iodopyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 300.85583 Da
Monoisotopic Mass: 2.9
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]+	301.86311	133.2
[M+Na]+	323.84505	138.5
[M-H]-	299.84855	128.8
[M+NH4]+	318.88965	148.4
[M+K]+	339.81899	139.5
[M+H-H2O]+	283.85309	125.5
[M+HCOO]-	345.85403	143.4
[M+CH3COO]-	359.86968	189.4
[M+Na-2H]-	321.83050	128.1
[M]+	300.85528	134.6
[M]-	300.85638	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe