CID 237845

Dimethyl 4-chloropyridine-2,6-dicarboxylate

Structural Information

Molecular Formula
C9H8ClNO4
SMILES
COC(=O)C1=CC(=CC(=N1)C(=O)OC)Cl
InChI
InChI=1S/C9H8ClNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3
InChIKey
NFXKYKHKNUFOKB-UHFFFAOYSA-N
Compound name
dimethyl 4-chloropyridine-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
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

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Patent stripe

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