CID 351268

1-(4-chlorophenyl)-4-phenyl-2-azetidinone

Structural Information

Molecular Formula
C15H12ClNO
SMILES
C1C(N(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H12ClNO/c16-12-6-8-13(9-7-12)17-14(10-15(17)18)11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey
LXZBKYRWRVPJBC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.06073 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06801 148.4
[M+Na]+ 280.04995 157.4
[M-H]- 256.05345 156.5
[M+NH4]+ 275.09455 158.7
[M+K]+ 296.02389 154.5
[M+H-H2O]+ 240.05799 135.6
[M+HCOO]- 302.05893 165.5
[M+CH3COO]- 316.07458 197.2
[M+Na-2H]- 278.03540 153.5
[M]+ 257.06018 158.1
[M]- 257.06128 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.