CID 3008645

7238-55-3

Structural Information

Molecular Formula

C₁₅H₁₁Cl₂NO

SMILES

C1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3)(Cl)Cl

InChI

InChI=1S/C15H11Cl2NO/c16-15(17)13(11-7-3-1-4-8-11)18(14(15)19)12-9-5-2-6-10-12/h1-10,13H

InChIKey

PIHNKLOEPGZEGT-UHFFFAOYSA-N

Compound name

3,3-dichloro-1,4-diphenylazetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 291.02176 Da
Monoisotopic Mass: 3.8
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]+	292.02904	152.7
[M+Na]+	314.01098	163.2
[M-H]-	290.01448	160.3
[M+NH4]+	309.05558	164.2
[M+K]+	329.98492	159.0
[M+H-H2O]+	274.01902	141.3
[M+HCOO]-	336.01996	165.0
[M+CH3COO]-	350.03561	165.0
[M+Na-2H]-	311.99643	158.2
[M]+	291.02121	163.8
[M]-	291.02231	163.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.