CID 122087

Zoxamide

Structural Information

Molecular Formula

C₁₄H₁₆Cl₃NO₂

SMILES

CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl

InChI

InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)

InChIKey

SOUGWDPPRBKJEX-UHFFFAOYSA-N

Compound name

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 37
References: 28805
Patents: 335.02466 Da
Monoisotopic Mass: 4.3
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]+	336.03194	171.3
[M+Na]+	358.01388	180.0
[M-H]-	334.01738	173.7
[M+NH4]+	353.05848	186.8
[M+K]+	373.98782	173.8
[M+H-H2O]+	318.02192	168.1
[M+HCOO]-	380.02286	177.7
[M+CH3COO]-	394.03851	211.3
[M+Na-2H]-	355.99933	171.3
[M]+	335.02411	176.4
[M]-	335.02521	176.4

Literature stripe

literature stripe

Patent stripe

patents stripe