CID 71464213

861545-83-7

Structural Information

Molecular Formula

C₇H₂Cl₂N₂O₂

SMILES

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

InChI

InChI=1S/C7H2Cl2N2O2/c8-4-1-5(7(12)13)11-6(9)3(4)2-10/h1H,(H,12,13)

InChIKey

NOLRVNOZBGZFCN-UHFFFAOYSA-N

Compound name

4,6-dichloro-5-cyanopyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 215.94933 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]+	216.956606	137.6
[M+Na]+	238.938548	150.7
[M-H]-	214.942054	138.6
[M+NH4]+	233.983153	154.1
[M+K]+	254.912488	145.5
[M+H-H2O]+	198.946590	127.2
[M+HCOO]-	260.947531	147.6
[M+CH3COO]-	274.963181	194.6
[M+Na-2H]-	236.923996	141.7
[M]+	215.94878142	135.6
[M]-	215.94987858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe