CID 3008654

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

Structural Information

Molecular Formula
C16H12Cl3NO2
SMILES
COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)Cl)(Cl)Cl
InChI
InChI=1S/C16H12Cl3NO2/c1-22-13-8-2-10(3-9-13)14-16(18,19)15(21)20(14)12-6-4-11(17)5-7-12/h2-9,14H,1H3
InChIKey
WWPJDPJGEWSHRZ-UHFFFAOYSA-N
Compound name
3,3-dichloro-1-(4-chlorophenyl)-4-(4-methoxyphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.99335 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.00063 162.2
[M+Na]+ 377.98257 173.7
[M-H]- 353.98607 168.8
[M+NH4]+ 373.02717 171.8
[M+K]+ 393.95651 169.3
[M+H-H2O]+ 337.99061 151.6
[M+HCOO]- 399.99155 169.1
[M+CH3COO]- 414.00720 212.6
[M+Na-2H]- 375.96802 165.1
[M]+ 354.99280 175.7
[M]- 354.99390 175.7
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.