CID 728695

32889-72-8

Structural Information

Molecular Formula
C8H5Cl4NO2
SMILES
CCOC(=O)C1=NC(=C(C(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H5Cl4NO2/c1-2-15-8(14)6-4(10)3(9)5(11)7(12)13-6/h2H2,1H3
InChIKey
HGEHWCJGGFGTFO-UHFFFAOYSA-N
Compound name
ethyl 3,4,5,6-tetrachloropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.90744 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.91472 149.2
[M+Na]+ 309.89666 160.6
[M-H]- 285.90016 149.0
[M+NH4]+ 304.94126 165.1
[M+K]+ 325.87060 155.6
[M+H-H2O]+ 269.90470 146.0
[M+HCOO]- 331.90564 151.5
[M+CH3COO]- 345.92129 198.6
[M+Na-2H]- 307.88211 150.5
[M]+ 286.90689 153.7
[M]- 286.90799 153.7
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.