CID 2781802

2,6-dichloroisonicotinamide

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O

SMILES

C1=C(C=C(N=C1Cl)Cl)C(=O)N

InChI

InChI=1S/C6H4Cl2N2O/c7-4-1-3(6(9)11)2-5(8)10-4/h1-2H,(H2,9,11)

InChIKey

CFYBBFGXTQBLQV-UHFFFAOYSA-N

Compound name

2,6-dichloropyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 189.97006 Da
Monoisotopic Mass: 0.9
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]+	190.977336	132.5
[M+Na]+	212.959278	143.2
[M-H]-	188.962784	134.3
[M+NH4]+	208.003883	151.8
[M+K]+	228.933218	138.5
[M+H-H2O]+	172.967320	128.1
[M+HCOO]-	234.968261	146.8
[M+CH3COO]-	248.983911	181.9
[M+Na-2H]-	210.944726	137.7
[M]+	189.96951142	133.9
[M]-	189.97060858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe