CID 2736088

959578-03-1

Structural Information

Molecular Formula

C₆H₃Cl₂NO₂

SMILES

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

InChI

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

InChIKey

AFZMKBLOQNTBOT-UHFFFAOYSA-N

Compound name

3,4-dichloropyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1124
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	129.2
[M+Na]+	213.94331	140.3
[M-H]-	189.94681	130.3
[M+NH4]+	208.98791	148.4
[M+K]+	229.91725	135.8
[M+H-H2O]+	173.95135	125.3
[M+HCOO]-	235.95229	142.0
[M+CH3COO]-	249.96794	177.3
[M+Na-2H]-	211.92876	134.9
[M]+	190.95354	131.8
[M]-	190.95464	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe