CID 3008652

Chembl1631649

Structural Information

Molecular Formula
C15H10Cl2N2O3
SMILES
C1=CC=C(C=C1)N2C(C(C2=O)(Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10Cl2N2O3/c16-15(17)13(10-6-8-12(9-7-10)19(21)22)18(14(15)20)11-4-2-1-3-5-11/h1-9,13H
InChIKey
DCHZVKFVWLAGQN-UHFFFAOYSA-N
Compound name
3,3-dichloro-4-(4-nitrophenyl)-1-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.00684 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.01412 163.5
[M+Na]+ 358.99606 171.4
[M-H]- 334.99956 170.5
[M+NH4]+ 354.04066 171.8
[M+K]+ 374.97000 164.9
[M+H-H2O]+ 319.00410 155.8
[M+HCOO]- 381.00504 176.2
[M+CH3COO]- 395.02069 203.5
[M+Na-2H]- 356.98151 169.0
[M]+ 336.00629 173.5
[M]- 336.00739 173.5
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.