CID 4589027

4-(phenylsulfonyl)-2-azetidinone

Structural Information

Molecular Formula
C9H9NO3S
SMILES
C1C(NC1=O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO3S/c11-8-6-9(10-8)14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKey
HTSFUAPDRXCYDV-UHFFFAOYSA-N
Compound name
4-(benzenesulfonyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

211.03032 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03760 137.6
[M+Na]+ 234.01954 144.0
[M-H]- 210.02304 141.4
[M+NH4]+ 229.06414 147.9
[M+K]+ 249.99348 143.7
[M+H-H2O]+ 194.02758 125.4
[M+HCOO]- 256.02852 151.9
[M+CH3COO]- 270.04417 181.9
[M+Na-2H]- 232.00499 141.7
[M]+ 211.02977 145.8
[M]- 211.03087 145.8
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