CID 10038637

153034-90-3

Structural Information

Molecular Formula

SMILES

C1=CN=C(C(=C1I)C=O)Cl

InChI

InChI=1S/C6H3ClINO/c7-6-4(3-10)5(8)1-2-9-6/h1-3H

InChIKey

OPZCXONVRBYGHX-UHFFFAOYSA-N

Compound name

2-chloro-4-iodopyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 294
Patents: 266.89478 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]+	267.90206	130.5
[M+Na]+	289.88400	134.6
[M-H]-	265.88750	126.4
[M+NH4]+	284.92860	146.4
[M+K]+	305.85794	137.0
[M+H-H2O]+	249.89204	121.9
[M+HCOO]-	311.89298	145.5
[M+CH3COO]-	325.90863	183.9
[M+Na-2H]-	287.86945	126.4
[M]+	266.89423	130.7
[M]-	266.89533	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe