CID 296447

Diethyl 4-chloropyridine-2,6-dicarboxylate

Structural Information

Molecular Formula
C11H12ClNO4
SMILES
CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)Cl
InChI
InChI=1S/C11H12ClNO4/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2/h5-6H,3-4H2,1-2H3
InChIKey
XQVRVZXJZVVBLW-UHFFFAOYSA-N
Compound name
diethyl 4-chloropyridine-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

257.04547 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05275 152.6
[M+Na]+ 280.03469 165.0
[M+NH4]+ 275.07929 158.8
[M+K]+ 296.00863 159.9
[M-H]- 256.03819 152.2
[M+Na-2H]- 278.02014 157.3
[M]+ 257.04492 154.3
[M]- 257.04602 154.3
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