CID 22452345

2,4-dichloronicotinamide

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O

SMILES

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

InChI

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

InChIKey

SBNBNPZOICXBQI-UHFFFAOYSA-N

Compound name

2,4-dichloropyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 189.97006 Da
Monoisotopic Mass: 1.3
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	132.7
[M+Na]+	212.95928	146.7
[M+NH4]+	208.00388	141.2
[M+K]+	228.93322	140.3
[M-H]-	188.96278	134.4
[M+Na-2H]-	210.94473	139.7
[M]+	189.96951	135.6
[M]-	189.97061	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe