CID 64664713

4-(3-chlorophenyl)-2-azetidinone

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1C(NC1=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C9H8ClNO/c10-7-3-1-2-6(4-7)8-5-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKey
QEOSJPCFAJXOFT-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.02943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 129.1
[M+Na]+ 204.01865 137.7
[M-H]- 180.02215 133.1
[M+NH4]+ 199.06325 141.8
[M+K]+ 219.99259 135.8
[M+H-H2O]+ 164.02669 118.6
[M+HCOO]- 226.02763 145.2
[M+CH3COO]- 240.04328 180.2
[M+Na-2H]- 202.00410 135.1
[M]+ 181.02888 136.9
[M]- 181.02998 136.9
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.