CID 30202

2-(phenylsulfonyl)ethanol

Structural Information

Molecular Formula

C₈H₁₀O₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)CCO

InChI

InChI=1S/C8H10O3S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

PQVYYVANSPZIKE-UHFFFAOYSA-N

Compound name

2-(benzenesulfonyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 498
Patents: 186.03506 Da
Monoisotopic Mass: 0.6
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]+	187.042336	136.4
[M+Na]+	209.024278	144.7
[M-H]-	185.027784	139.1
[M+NH4]+	204.068883	155.9
[M+K]+	224.998218	141.7
[M+H-H2O]+	169.032320	131.2
[M+HCOO]-	231.033261	154.0
[M+CH3COO]-	245.048911	174.3
[M+Na-2H]-	207.009726	142.0
[M]+	186.03451142	138.6
[M]-	186.03560858	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe