CID 220240

2-methanesulfonyl-1-phenylethan-1-ol

Structural Information

Molecular Formula

C₉H₁₂O₃S

SMILES

CS(=O)(=O)CC(C1=CC=CC=C1)O

InChI

InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3

InChIKey

FVZQEVNJWREWHU-UHFFFAOYSA-N

Compound name

2-methylsulfonyl-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 200.05072 Da
Monoisotopic Mass: 0.4
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]+	201.05800	141.9
[M+Na]+	223.03994	152.6
[M+NH4]+	218.08454	149.4
[M+K]+	239.01388	146.2
[M-H]-	199.04344	142.1
[M+Na-2H]-	221.02539	147.1
[M]+	200.05017	143.8
[M]-	200.05127	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe