CID 1514300

6-chloropyridine-2,3-dicarboxylic acid dimethyl ester

Structural Information

Molecular Formula
C9H8ClNO4
SMILES
COC(=O)C1=C(N=C(C=C1)Cl)C(=O)OC
InChI
InChI=1S/C9H8ClNO4/c1-14-8(12)5-3-4-6(10)11-7(5)9(13)15-2/h3-4H,1-2H3
InChIKey
KEKUTUAIDOVRDG-UHFFFAOYSA-N
Compound name
dimethyl 6-chloropyridine-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

229.01419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.021466 141.5
[M+Na]+ 252.003408 151.6
[M-H]- 228.006914 144.6
[M+NH4]+ 247.048013 159.5
[M+K]+ 267.977348 149.6
[M+H-H2O]+ 212.011450 136.0
[M+HCOO]- 274.012391 159.7
[M+CH3COO]- 288.028041 186.9
[M+Na-2H]- 249.988856 145.9
[M]+ 229.01364142 147.8
[M]- 229.01473858 147.8
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