CID 2786748

Ethyl 4,6-dichloro-2-methylnicotinate

Structural Information

Molecular Formula
C9H9Cl2NO2
SMILES
CCOC(=O)C1=C(N=C(C=C1Cl)Cl)C
InChI
InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)8-5(2)12-7(11)4-6(8)10/h4H,3H2,1-2H3
InChIKey
LNIMLSAAPISOEC-UHFFFAOYSA-N
Compound name
ethyl 4,6-dichloro-2-methylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

233.00104 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.008316 142.3
[M+Na]+ 255.990258 153.6
[M-H]- 231.993764 144.7
[M+NH4]+ 251.034863 160.9
[M+K]+ 271.964198 149.3
[M+H-H2O]+ 215.998300 137.8
[M+HCOO]- 277.999241 155.6
[M+CH3COO]- 292.014891 189.2
[M+Na-2H]- 253.975706 146.3
[M]+ 233.00049142 148.2
[M]- 233.00158858 148.2
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