CID 2733659

2,6-dichloro-5-fluoronicotinic acid

Structural Information

Molecular Formula

C₆H₂Cl₂FNO₂

SMILES

C1=C(C(=NC(=C1F)Cl)Cl)C(=O)O

InChI

InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)

InChIKey

LTDGKGCHRNNCAC-UHFFFAOYSA-N

Compound name

2,6-dichloro-5-fluoropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 968
Patents: 208.94466 Da
Monoisotopic Mass: 2.4
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]+	209.95194	130.3
[M+Na]+	231.93388	142.3
[M-H]-	207.93738	130.4
[M+NH4]+	226.97848	149.0
[M+K]+	247.90782	137.4
[M+H-H2O]+	191.94192	125.7
[M+HCOO]-	253.94286	142.0
[M+CH3COO]-	267.95851	181.1
[M+Na-2H]-	229.91933	134.9
[M]+	208.94411	132.3
[M]-	208.94521	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe