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: 181
Patents: 233.00104 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe