CID 7330

Chlorbetamide

Structural Information

Molecular Formula

C₁₁H₁₁Cl₄NO₂

SMILES

C1=CC(=C(C=C1Cl)Cl)CN(CCO)C(=O)C(Cl)Cl

InChI

InChI=1S/C11H11Cl4NO2/c12-8-2-1-7(9(13)5-8)6-16(3-4-17)11(18)10(14)15/h1-2,5,10,17H,3-4,6H2

InChIKey

STLZCUYBVPNYED-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1040
Patents: 328.95438 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]+	329.96166	168.5
[M+Na]+	351.94360	180.8
[M+NH4]+	346.98820	175.7
[M+K]+	367.91754	173.7
[M-H]-	327.94710	169.1
[M+Na-2H]-	349.92905	173.1
[M]+	328.95383	171.4
[M]-	328.95493	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe