CID 13052632

4-[(2-hydroxyethyl)thio]phenol

Structural Information

Molecular Formula

C₈H₁₀O₂S

SMILES

C1=CC(=CC=C1O)SCCO

InChI

InChI=1S/C8H10O2S/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,9-10H,5-6H2

InChIKey

IFHQAPBPRZJELK-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethylsulfanyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 170.04015 Da
Monoisotopic Mass: 1.4
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]+	171.04743	132.7
[M+Na]+	193.02937	140.7
[M-H]-	169.03287	134.0
[M+NH4]+	188.07397	152.6
[M+K]+	209.00331	137.1
[M+H-H2O]+	153.03741	127.7
[M+HCOO]-	215.03835	149.8
[M+CH3COO]-	229.05400	172.1
[M+Na-2H]-	191.01482	136.5
[M]+	170.03960	133.9
[M]-	170.04070	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe