CID 1514300

32383-03-2

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

132
Patents

229.01419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02147 143.6
[M+Na]+ 252.00341 156.4
[M+NH4]+ 247.04801 150.2
[M+K]+ 267.97735 151.8
[M-H]- 228.00691 143.3
[M+Na-2H]- 249.98886 148.9
[M]+ 229.01364 145.4
[M]- 229.01474 145.4
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