CID 82646

3,4,5,6-tetrachloropyridine-2-carboxylic acid

Structural Information

Molecular Formula

C₆HCl₄NO₂

SMILES

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

InChI

InChI=1S/C6HCl4NO2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H,12,13)

InChIKey

GXFRQLQUKBSYQL-UHFFFAOYSA-N

Compound name

3,4,5,6-tetrachloropyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 197
Patents: 258.87613 Da
Monoisotopic Mass: 3.6
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]+	259.883406	140.0
[M+Na]+	281.865348	151.7
[M-H]-	257.868854	138.9
[M+NH4]+	276.909953	156.3
[M+K]+	297.839288	146.4
[M+H-H2O]+	241.873390	137.7
[M+HCOO]-	303.874331	141.6
[M+CH3COO]-	317.889981	191.5
[M+Na-2H]-	279.850796	141.9
[M]+	258.87558142	142.2
[M]-	258.87667858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe