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: 246
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]+	172.96678	127.0
[M+Na]+	194.94872	142.0
[M+NH4]+	189.99332	133.2
[M+K]+	210.92266	131.6
[M-H]-	170.95222	122.2
[M+Na-2H]-	192.93417	133.0
[M]+	171.95895	127.6
[M]-	171.96005	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe