CID 11367

Diloxanide

Structural Information

Molecular Formula

C₉H₉Cl₂NO₂

SMILES

CN(C1=CC=C(C=C1)O)C(=O)C(Cl)Cl

InChI

InChI=1S/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3

InChIKey

GZZZSOOGQLOEOB-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 89
References: 1143
Patents: 233.00104 Da
Monoisotopic Mass: 2.0
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]+	234.00832	144.3
[M+Na]+	255.99026	152.6
[M-H]-	231.99376	147.7
[M+NH4]+	251.03486	163.3
[M+K]+	271.96420	148.9
[M+H-H2O]+	215.99830	140.5
[M+HCOO]-	277.99924	158.2
[M+CH3COO]-	292.01489	190.9
[M+Na-2H]-	253.97571	147.4
[M]+	233.00049	147.5
[M]-	233.00159	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe