CID 320405

3-phenyl-2-(phenylsulfonyl)-1,2-oxaziridine

Structural Information

Molecular Formula

C₁₃H₁₁NO₃S

SMILES

C1=CC=C(C=C1)C2N(O2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C13H11NO3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13H

InChIKey

MKHGVMIXRPGHOO-UHFFFAOYSA-N

Compound name

2-(benzenesulfonyl)-3-phenyloxaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2118
Patents: 261.04596 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.05324	162.1
[M+Na]+	284.03518	178.0
[M+NH4]+	279.07978	170.8
[M+K]+	300.00912	170.9
[M-H]-	260.03868	174.3
[M+Na-2H]-	282.02063	173.3
[M]+	261.04541	169.6
[M]-	261.04651	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe