CID 74497

1774-34-1

Structural Information

Molecular Formula

C₁₂H₁₀O₃S

SMILES

C1=CC(=CC=C1O)S(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H10O3S/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey

RQCACQIALULDSK-UHFFFAOYSA-N

Compound name

4-(4-hydroxyphenyl)sulfinylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19478
Patents: 234.03506 Da
Monoisotopic Mass: 2.0
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]+	235.042336	147.3
[M+Na]+	257.024278	155.7
[M-H]-	233.027784	152.1
[M+NH4]+	252.068883	164.2
[M+K]+	272.998218	151.1
[M+H-H2O]+	217.032320	141.1
[M+HCOO]-	279.033261	164.0
[M+CH3COO]-	293.048911	183.3
[M+Na-2H]-	255.009726	150.1
[M]+	234.03451142	148.0
[M]-	234.03560858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe