CID 320405

2-(benzenesulfonyl)-3-phenyloxaziridine

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

2282
Patents

261.04596 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.053236 154.5
[M+Na]+ 284.035178 165.2
[M-H]- 260.038684 164.6
[M+NH4]+ 279.079783 164.2
[M+K]+ 300.009118 162.1
[M+H-H2O]+ 244.043220 146.5
[M+HCOO]- 306.044161 172.4
[M+CH3COO]- 320.059811 167.0
[M+Na-2H]- 282.020626 161.0
[M]+ 261.04541142 159.9
[M]- 261.04650858 159.9
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

patents stripe