CID 53750930

142266-62-4

Structural Information

Molecular Formula

C₆H₃Cl₃N₂O

SMILES

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

InChI

InChI=1S/C6H3Cl3N2O/c7-3-1-2(6(10)12)4(8)11-5(3)9/h1H,(H2,10,12)

InChIKey

DBAVDGXPOXFHRC-UHFFFAOYSA-N

Compound name

2,5,6-trichloropyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 223.93109 Da
Monoisotopic Mass: 2.3
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]+	224.93837	138.4
[M+Na]+	246.92031	149.7
[M-H]-	222.92381	139.2
[M+NH4]+	241.96491	156.4
[M+K]+	262.89425	144.2
[M+H-H2O]+	206.92835	134.8
[M+HCOO]-	268.92929	147.1
[M+CH3COO]-	282.94494	188.6
[M+Na-2H]-	244.90576	141.7
[M]+	223.93054	140.0
[M]-	223.93164	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe