CID 247987

5,6-dichloronicotinic acid

Structural Information

Molecular Formula

C₆H₃Cl₂NO₂

SMILES

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

InChI

InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)

InChIKey

RNRLTTNKVLFZJS-UHFFFAOYSA-N

Compound name

5,6-dichloropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1287
Patents: 190.95409 Da
Monoisotopic Mass: 2.0
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]+	191.96137	131.4
[M+Na]+	213.94331	146.0
[M+NH4]+	208.98791	139.7
[M+K]+	229.91725	139.8
[M-H]-	189.94681	132.0
[M+Na-2H]-	211.92876	138.2
[M]+	190.95354	134.2
[M]-	190.95464	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe