CID 22142778

62068-78-4

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O

SMILES

C1=CC(=NC(=C1C(=O)N)Cl)Cl

InChI

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

InChIKey

TZQZNPXAAMVOKE-UHFFFAOYSA-N

Compound name

2,6-dichloropyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 285
Patents: 189.97006 Da
Monoisotopic Mass: 1.7
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]+	190.97734	132.5
[M+Na]+	212.95928	143.2
[M-H]-	188.96278	134.3
[M+NH4]+	208.00388	151.8
[M+K]+	228.93322	138.5
[M+H-H2O]+	172.96732	128.1
[M+HCOO]-	234.96826	146.8
[M+CH3COO]-	248.98391	181.9
[M+Na-2H]-	210.94473	137.7
[M]+	189.96951	133.9
[M]-	189.97061	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe