CID 1268874

35592-22-4

Structural Information

Molecular Formula

C₆HCl₄NO₂

SMILES

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

InChI

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

InChIKey

XQBFIOZYVSZLCI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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]+	259.88341	140.0
[M+Na]+	281.86535	151.7
[M-H]-	257.86885	138.9
[M+NH4]+	276.90995	156.3
[M+K]+	297.83929	146.4
[M+H-H2O]+	241.87339	137.7
[M+HCOO]-	303.87433	141.6
[M+CH3COO]-	317.88998	191.5
[M+Na-2H]-	279.85080	141.9
[M]+	258.87558	142.2
[M]-	258.87668	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe