CID 137951698

Methyl 1-(3,5-dichlorophenyl)-2-oxoazetidine-3-carboxylate

Structural Information

Molecular Formula
C11H9Cl2NO3
SMILES
COC(=O)C1CN(C1=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C11H9Cl2NO3/c1-17-11(16)9-5-14(10(9)15)8-3-6(12)2-7(13)4-8/h2-4,9H,5H2,1H3
InChIKey
PDFCJGDMHLCGDL-UHFFFAOYSA-N
Compound name
methyl 1-(3,5-dichlorophenyl)-2-oxoazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.99594 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00322 144.8
[M+Na]+ 295.98516 154.9
[M-H]- 271.98866 149.9
[M+NH4]+ 291.02976 155.5
[M+K]+ 311.95910 153.1
[M+H-H2O]+ 255.99320 134.7
[M+HCOO]- 317.99414 156.5
[M+CH3COO]- 332.00979 198.6
[M+Na-2H]- 293.97061 147.3
[M]+ 272.99539 158.3
[M]- 272.99649 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.