CID 11356304

2-(2-(phenylsulfonyl)ethyl)oxirane

Structural Information

Molecular Formula

C₁₀H₁₂O₃S

SMILES

C1C(O1)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H12O3S/c11-14(12,7-6-9-8-13-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2

InChIKey

KIQYSHHJXJOUMS-UHFFFAOYSA-N

Compound name

2-[2-(benzenesulfonyl)ethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 212.05072 Da
Monoisotopic Mass: 1.2
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]+	213.05800	140.6
[M+Na]+	235.03994	150.3
[M-H]-	211.04344	149.1
[M+NH4]+	230.08454	153.8
[M+K]+	251.01388	148.5
[M+H-H2O]+	195.04798	134.0
[M+HCOO]-	257.04892	159.0
[M+CH3COO]-	271.06457	184.8
[M+Na-2H]-	233.02539	147.2
[M]+	212.05017	146.9
[M]-	212.05127	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe