CID 2305185

19677-58-8

Structural Information

Molecular Formula

C₁₀H₁₁Cl₃N₂O₂

SMILES

CCCCOC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl

InChI

InChI=1S/C10H11Cl3N2O2/c1-2-3-4-17-10(16)8-5(11)7(14)6(12)9(13)15-8/h2-4H2,1H3,(H2,14,15)

InChIKey

IMOAFEHTLHVMLL-UHFFFAOYSA-N

Compound name

butyl 4-amino-3,5,6-trichloropyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 295.98862 Da
Monoisotopic Mass: 3.8
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]+	296.99590	158.6
[M+Na]+	318.97784	169.2
[M-H]-	294.98134	159.3
[M+NH4]+	314.02244	174.3
[M+K]+	334.95178	163.5
[M+H-H2O]+	278.98588	154.4
[M+HCOO]-	340.98682	166.4
[M+CH3COO]-	355.00247	202.6
[M+Na-2H]-	316.96329	159.3
[M]+	295.98807	163.4
[M]-	295.98917	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe