CID 3008653

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

Structural Information

Molecular Formula
C16H12Cl2N2O4
SMILES
COC1=CC=C(C=C1)N2C(C(C2=O)(Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H12Cl2N2O4/c1-24-13-8-6-11(7-9-13)19-14(16(17,18)15(19)21)10-2-4-12(5-3-10)20(22)23/h2-9,14H,1H3
InChIKey
DMXRCELSMZUKJT-UHFFFAOYSA-N
Compound name
3,3-dichloro-1-(4-methoxyphenyl)-4-(4-nitrophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.01743 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.02471 170.3
[M+Na]+ 389.00665 178.3
[M-H]- 365.01015 177.6
[M+NH4]+ 384.05125 177.6
[M+K]+ 404.98059 172.3
[M+H-H2O]+ 349.01469 162.5
[M+HCOO]- 411.01563 182.8
[M+CH3COO]- 425.03128 209.4
[M+Na-2H]- 386.99210 174.9
[M]+ 366.01688 182.4
[M]- 366.01798 182.4
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.