CID 12993692

2-pyridinecarboxylic acid, 4,5,6-trichloro-

Structural Information

Molecular Formula

C₆H₂Cl₃NO₂

SMILES

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

InChI

InChI=1S/C6H2Cl3NO2/c7-2-1-3(6(11)12)10-5(9)4(2)8/h1H,(H,11,12)

InChIKey

LHGHJAGVMNLDGA-UHFFFAOYSA-N

Compound name

4,5,6-trichloropyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 214
Patents: 224.91512 Da
Monoisotopic Mass: 2.9
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]+	225.92240	138.2
[M+Na]+	247.90434	153.1
[M+NH4]+	242.94894	146.3
[M+K]+	263.87828	146.6
[M-H]-	223.90784	138.6
[M+Na-2H]-	245.88979	144.5
[M]+	224.91457	141.3
[M]-	224.91567	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe