CID 12773533

4-(2-chlorophenyl)azetidin-2-one

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1C(NC1=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C9H8ClNO/c10-7-4-2-1-3-6(7)8-5-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKey
MBLWQVBOUHYDFZ-UHFFFAOYSA-N
Compound name
4-(2-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]+ 182.036706 129.1
[M+Na]+ 204.018648 137.7
[M-H]- 180.022154 133.1
[M+NH4]+ 199.063253 141.8
[M+K]+ 219.992588 135.8
[M+H-H2O]+ 164.026690 118.6
[M+HCOO]- 226.027631 145.2
[M+CH3COO]- 240.043281 180.2
[M+Na-2H]- 202.004096 135.1
[M]+ 181.02888142 136.9
[M]- 181.02997858 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.