CID 23247926

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 129.7
[M+Na]+ 204.01865 139.8
[M+NH4]+ 199.06325 135.0
[M+K]+ 219.99259 134.8
[M-H]- 180.02215 130.0
[M+Na-2H]- 202.00410 135.5
[M]+ 181.02888 130.4
[M]- 181.02998 130.4
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

patents stripe