CID 218144

40281-29-6

Structural Information

Molecular Formula

C₁₉H₁₉Cl₂NO

SMILES

C1CCN(C1)CC(C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19Cl2NO/c20-16-7-3-14(4-8-16)18(13-22-11-1-2-12-22)19(23)15-5-9-17(21)10-6-15/h3-10,18H,1-2,11-13H2

InChIKey

CFDMSYBKKMEHJR-UHFFFAOYSA-N

Compound name

1,2-bis(4-chlorophenyl)-3-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 347.08438 Da
Monoisotopic Mass: 5.0
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]+	348.091656	181.6
[M+Na]+	370.073598	187.9
[M-H]-	346.077104	188.3
[M+NH4]+	365.118203	195.8
[M+K]+	386.047538	180.5
[M+H-H2O]+	330.081640	173.1
[M+HCOO]-	392.082581	190.8
[M+CH3COO]-	406.098231	191.1
[M+Na-2H]-	368.059046	179.4
[M]+	347.08383142	182.1
[M]-	347.08492858	182.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.