CID 87295

Phenol, 2-[(4-hydroxyphenyl)thio]-

Structural Information

Molecular Formula

C₁₂H₁₀O₂S

SMILES

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

InChI

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

InChIKey

HHGJAYGHIYSKEE-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)sulfanylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
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]+	219.047426	143.9
[M+Na]+	241.029368	152.6
[M-H]-	217.032874	148.7
[M+NH4]+	236.073973	161.8
[M+K]+	257.003308	147.5
[M+H-H2O]+	201.037410	137.9
[M+HCOO]-	263.038351	161.4
[M+CH3COO]-	277.054001	181.0
[M+Na-2H]-	239.014816	147.8
[M]+	218.03960142	144.5
[M]-	218.04069858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe