CID 3008648

2-azetidinone, 3,3-dichloro-1-(4-chlorophenyl)-4-phenyl-

Structural Information

Molecular Formula
C15H10Cl3NO
SMILES
C1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)Cl)(Cl)Cl
InChI
InChI=1S/C15H10Cl3NO/c16-11-6-8-12(9-7-11)19-13(15(17,18)14(19)20)10-4-2-1-3-5-10/h1-9,13H
InChIKey
SOMAQNCTYUDRTC-UHFFFAOYSA-N
Compound name
3,3-dichloro-1-(4-chlorophenyl)-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.9828 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99008 155.8
[M+Na]+ 347.97202 167.1
[M-H]- 323.97552 162.2
[M+NH4]+ 343.01662 166.4
[M+K]+ 363.94596 162.2
[M+H-H2O]+ 307.98006 145.3
[M+HCOO]- 369.98100 162.8
[M+CH3COO]- 383.99665 167.3
[M+Na-2H]- 345.95747 159.7
[M]+ 324.98225 167.2
[M]- 324.98335 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.