CID 71425174

919354-52-2

Structural Information

Molecular Formula

C₉H₆Cl₂N₂O₂

SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)Cl)Cl

InChI

InChI=1S/C9H6Cl2N2O2/c1-2-15-9(14)6-3-5(4-12)7(10)13-8(6)11/h3H,2H2,1H3

InChIKey

UDWGETXHCFVFDI-UHFFFAOYSA-N

Compound name

ethyl 2,6-dichloro-5-cyanopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 243.98064 Da
Monoisotopic Mass: 2.7
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]+	244.98792	142.5
[M+Na]+	266.96986	156.2
[M+NH4]+	262.01446	146.9
[M+K]+	282.94380	147.0
[M-H]-	242.97336	136.5
[M+Na-2H]-	264.95531	146.4
[M]+	243.98009	142.4
[M]-	243.98119	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe