CID 3008649

3,3-dichloro-4-(4-methoxyphenyl)-1-phenyl-azetidin-2-one

Structural Information

Molecular Formula
C16H13Cl2NO2
SMILES
COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3)(Cl)Cl
InChI
InChI=1S/C16H13Cl2NO2/c1-21-13-9-7-11(8-10-13)14-16(17,18)15(20)19(14)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKey
RMRYBSLSQUFSHC-UHFFFAOYSA-N
Compound name
3,3-dichloro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.03235 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.03963 159.6
[M+Na]+ 344.02157 170.2
[M-H]- 320.02507 167.4
[M+NH4]+ 339.06617 170.1
[M+K]+ 359.99551 166.6
[M+H-H2O]+ 304.02961 148.1
[M+HCOO]- 366.03055 171.7
[M+CH3COO]- 380.04620 206.9
[M+Na-2H]- 342.00702 163.9
[M]+ 321.03180 172.8
[M]- 321.03290 172.8
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.