CID 2736087

2,5-dichloroisonicotinic acid

Structural Information

Molecular Formula

C₆H₃Cl₂NO₂

SMILES

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

InChI

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

InChIKey

GFOVTTQVBDEYPP-UHFFFAOYSA-N

Compound name

2,5-dichloropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 244
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]+	191.961366	129.2
[M+Na]+	213.943308	140.3
[M-H]-	189.946814	130.3
[M+NH4]+	208.987913	148.4
[M+K]+	229.917248	135.8
[M+H-H2O]+	173.951350	125.3
[M+HCOO]-	235.952291	142.0
[M+CH3COO]-	249.967941	177.3
[M+Na-2H]-	211.928756	134.9
[M]+	190.95354142	131.8
[M]-	190.95463858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe