CID 82646

3,4,5,6-tetrachloropyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6HCl4NO2
SMILES
C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)Cl
InChI
InChI=1S/C6HCl4NO2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H,12,13)
InChIKey
GXFRQLQUKBSYQL-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrachloropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

194
Patents

258.87613 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.88341 140.0
[M+Na]+ 281.86535 151.7
[M-H]- 257.86885 138.9
[M+NH4]+ 276.90995 156.3
[M+K]+ 297.83929 146.4
[M+H-H2O]+ 241.87339 137.7
[M+HCOO]- 303.87433 141.6
[M+CH3COO]- 317.88998 191.5
[M+Na-2H]- 279.85080 141.9
[M]+ 258.87558 142.2
[M]- 258.87668 142.2
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

No patent data available for this compound.