CID 604813

86129-63-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
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

literature stripe

Patent stripe

patents stripe