CID 22050773

864265-08-7

Structural Information

Molecular Formula

C₈H₁₀O₃S

SMILES

CS(=O)(=O)C1=CC=CC=C1CO

InChI

InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3

InChIKey

RKXFAGRISWUJGO-UHFFFAOYSA-N

Compound name

(2-methylsulfonylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 186.03506 Da
Monoisotopic Mass: 0.3
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]+	187.04234	135.6
[M+Na]+	209.02428	144.7
[M-H]-	185.02778	138.6
[M+NH4]+	204.06888	155.4
[M+K]+	224.99822	141.8
[M+H-H2O]+	169.03232	130.7
[M+HCOO]-	231.03326	153.2
[M+CH3COO]-	245.04891	175.4
[M+Na-2H]-	207.00973	140.6
[M]+	186.03451	138.2
[M]-	186.03561	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe