CID 21997828

180995-12-4

Structural Information

Molecular Formula

C₆H₂Cl₂N₂

SMILES

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

InChI

InChI=1S/C6H2Cl2N2/c7-5-1-2-10-6(8)4(5)3-9/h1-2H

InChIKey

OQYZEFBWEXEOPL-UHFFFAOYSA-N

Compound name

2,4-dichloropyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 235
Patents: 171.9595 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]+	172.966776	128.4
[M+Na]+	194.948718	141.7
[M-H]-	170.952224	130.2
[M+NH4]+	189.993323	147.0
[M+K]+	210.922658	136.3
[M+H-H2O]+	154.956760	117.6
[M+HCOO]-	216.957701	140.2
[M+CH3COO]-	230.973351	189.7
[M+Na-2H]-	192.934166	135.2
[M]+	171.95895142	125.9
[M]-	171.96004858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe