CID 17570

4,4'-thiodiphenol

Structural Information

Molecular Formula

C₁₂H₁₀O₂S

SMILES

C1=CC(=CC=C1O)SC2=CC=C(C=C2)O

InChI

InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey

VWGKEVWFBOUAND-UHFFFAOYSA-N

Compound name

4-(4-hydroxyphenyl)sulfanylphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 19
References: 45987
Patents: 218.04015 Da
Monoisotopic Mass: 3.3
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]+	219.04743	143.9
[M+Na]+	241.02937	152.6
[M-H]-	217.03287	148.7
[M+NH4]+	236.07397	161.8
[M+K]+	257.00331	147.5
[M+H-H2O]+	201.03741	137.9
[M+HCOO]-	263.03835	161.4
[M+CH3COO]-	277.05400	181.0
[M+Na-2H]-	239.01482	147.8
[M]+	218.03960	144.5
[M]-	218.04070	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe