CID 131184

130203-74-6

Structural Information

Molecular Formula

C₁₈H₁₉Cl₂NO₂

SMILES

CCC(CNC(=O)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C18H19Cl2NO2/c1-2-16(22)11-21-18(23)17(12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h3-10,16-17,22H,2,11H2,1H3,(H,21,23)

InChIKey

QJAXJTDUOBFFJZ-UHFFFAOYSA-N

Compound name

2,2-bis(4-chlorophenyl)-N-(2-hydroxybutyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 351.07928 Da
Monoisotopic Mass: 4.4
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]+	352.086556	178.9
[M+Na]+	374.068498	185.0
[M-H]-	350.072004	183.2
[M+NH4]+	369.113103	192.2
[M+K]+	390.042438	178.3
[M+H-H2O]+	334.076540	173.0
[M+HCOO]-	396.077481	189.8
[M+CH3COO]-	410.093131	211.7
[M+Na-2H]-	372.053946	178.7
[M]+	351.07873142	181.8
[M]-	351.07982858	181.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.