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

6
Annotation Hits: 814
References: 60282
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]+	251.037256	151.2
[M+Na]+	273.019198	160.3
[M-H]-	249.022704	156.2
[M+NH4]+	268.063803	167.5
[M+K]+	288.993138	155.6
[M+H-H2O]+	233.027240	145.2
[M+HCOO]-	295.028181	167.8
[M+CH3COO]-	309.043831	184.2
[M+Na-2H]-	271.004646	156.0
[M]+	250.02943142	152.7
[M]-	250.03052858	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe