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

4
Annotation Hits: 0
References: 1202
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]+	329.961656	163.9
[M+Na]+	351.943598	171.6
[M-H]-	327.947104	164.4
[M+NH4]+	346.988203	178.8
[M+K]+	367.917538	166.3
[M+H-H2O]+	311.951640	161.3
[M+HCOO]-	373.952581	166.3
[M+CH3COO]-	387.968231	208.2
[M+Na-2H]-	349.929046	163.1
[M]+	328.95383142	167.4
[M]-	328.95492858	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe