CID 85330

Allyl phenyl sulfone

Structural Information

Molecular Formula

C₉H₁₀O₂S

SMILES

C=CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2

InChIKey

KYPIULIVYSQNNT-UHFFFAOYSA-N

Compound name

prop-2-enylsulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 726
Patents: 182.04015 Da
Monoisotopic Mass: 1.8
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]+	183.04743	138.4
[M+Na]+	205.02937	150.6
[M+NH4]+	200.07397	146.7
[M+K]+	221.00331	142.3
[M-H]-	181.03287	139.6
[M+Na-2H]-	203.01482	144.8
[M]+	182.03960	140.9
[M]-	182.04070	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe