CID 11737393

2,6-dichloro-4-iodopyridine

Structural Information

Molecular Formula

C₅H₂Cl₂IN

SMILES

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

InChI

InChI=1S/C5H2Cl2IN/c6-4-1-3(8)2-5(7)9-4/h1-2H

InChIKey

NGSKFMPSBUAUNE-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-iodopyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 875
Patents: 272.8609 Da
Monoisotopic Mass: 3.4
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]+	273.86818	126.7
[M+Na]+	295.85012	131.3
[M-H]-	271.85362	122.0
[M+NH4]+	290.89472	142.8
[M+K]+	311.82406	132.6
[M+H-H2O]+	255.85816	119.0
[M+HCOO]-	317.85910	136.8
[M+CH3COO]-	331.87475	184.6
[M+Na-2H]-	293.83557	122.8
[M]+	272.86035	126.7
[M]-	272.86145	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe