CID 362130

2-phenyl-1-(phenylsulfonyl)azetidine

Structural Information

Molecular Formula
C15H15NO2S
SMILES
C1CN(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H15NO2S/c17-19(18,14-9-5-2-6-10-14)16-12-11-15(16)13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKey
CYNSTNZCAPLJOW-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-2-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.08234 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08962 153.8
[M+Na]+ 296.07156 160.0
[M-H]- 272.07506 161.6
[M+NH4]+ 291.11616 162.3
[M+K]+ 312.04550 158.7
[M+H-H2O]+ 256.07960 139.9
[M+HCOO]- 318.08054 169.1
[M+CH3COO]- 332.09619 196.7
[M+Na-2H]- 294.05701 158.1
[M]+ 273.08179 162.8
[M]- 273.08289 162.8
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

No patent data available for this compound.