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

191
Patents

233.00104 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.00832 142.3
[M+Na]+ 255.99026 153.6
[M-H]- 231.99376 144.7
[M+NH4]+ 251.03486 160.9
[M+K]+ 271.96420 149.3
[M+H-H2O]+ 215.99830 137.8
[M+HCOO]- 277.99924 155.6
[M+CH3COO]- 292.01489 189.2
[M+Na-2H]- 253.97571 146.3
[M]+ 233.00049 148.2
[M]- 233.00159 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