CID 57516912

1061357-83-2

Structural Information

Molecular Formula

C₆H₂ClIN₂

SMILES

C1=C(C(=CN=C1Cl)C#N)I

InChI

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

InChIKey

TVHRQDVVPKXZOZ-UHFFFAOYSA-N

Compound name

6-chloro-4-iodopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
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]+	264.902376	131.7
[M+Na]+	286.884318	137.8
[M-H]-	262.887824	127.8
[M+NH4]+	281.928923	146.0
[M+K]+	302.858258	138.8
[M+H-H2O]+	246.892360	117.3
[M+HCOO]-	308.893301	143.6
[M+CH3COO]-	322.908951	195.6
[M+Na-2H]-	284.869766	128.2
[M]+	263.89455142	126.4
[M]-	263.89564858	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe