CID 6626

4,4'-sulfonyldiphenol

Structural Information

Molecular Formula

C₁₂H₁₀O₄S

SMILES

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

InChI

InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey

VPWNQTHUCYMVMZ-UHFFFAOYSA-N

Compound name

4-(4-hydroxyphenyl)sulfonylphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 789
References: 38832
Patents: 250.02998 Da
Monoisotopic Mass: 1.9
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]+	251.03726	152.0
[M+Na]+	273.01920	165.2
[M+NH4]+	268.06380	159.5
[M+K]+	288.99314	158.1
[M-H]-	249.02270	154.3
[M+Na-2H]-	271.00465	159.8
[M]+	250.02943	155.0
[M]-	250.03053	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe