CID 2799992

2,5-dichloronicotinamide

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O

SMILES

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

InChI

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

InChIKey

ZFKLQPMSJKTZDR-UHFFFAOYSA-N

Compound name

2,5-dichloropyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 189.97006 Da
Monoisotopic Mass: 1.4
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

No literature data available for this compound.

Patent stripe

patents stripe