CID 441161

2'-hydroxybiphenyl-2-sulfinic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₃S

SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2S(=O)O)O

InChI

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

InChIKey

HPKSNFTYZHYEKV-UHFFFAOYSA-N

Compound name

2-(2-hydroxyphenyl)benzenesulfinic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 158
Patents: 234.03506 Da
Monoisotopic Mass: 2.4
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]+	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