CID 12087453

4,6-dichloropyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6H3Cl2NO2
SMILES
C1=C(C=C(N=C1C(=O)O)Cl)Cl
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-4(6(10)11)9-5(8)2-3/h1-2H,(H,10,11)
InChIKey
AYYUSDKNXRPJBH-UHFFFAOYSA-N
Compound name
4,6-dichloropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

190.95409 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe