CID 14211646

126954-66-3

Structural Information

Molecular Formula

C₆H₂Cl₂N₂

SMILES

C1=C(C=NC(=C1C#N)Cl)Cl

InChI

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

InChIKey

CZKCARRNABGWOH-UHFFFAOYSA-N

Compound name

2,5-dichloropyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
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	128.4
[M+Na]+	194.94872	141.7
[M-H]-	170.95222	130.2
[M+NH4]+	189.99332	147.0
[M+K]+	210.92266	136.3
[M+H-H2O]+	154.95676	117.6
[M+HCOO]-	216.95770	140.2
[M+CH3COO]-	230.97335	189.7
[M+Na-2H]-	192.93417	135.2
[M]+	171.95895	125.9
[M]-	171.96005	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe