CID 441151

1,2-dihydroxydibenzothiophene

Structural Information

Molecular Formula

C₁₂H₈O₂S

SMILES

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3O)O

InChI

InChI=1S/C12H8O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,13-14H

InChIKey

VKHFOUIAKVUCEF-UHFFFAOYSA-N

Compound name

dibenzothiophene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 38
Patents: 216.0245 Da
Monoisotopic Mass: 3.6
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]+	217.03178	141.3
[M+Na]+	239.01372	156.1
[M+NH4]+	234.05832	152.0
[M+K]+	254.98766	148.5
[M-H]-	215.01722	144.6
[M+Na-2H]-	236.99917	147.8
[M]+	216.02395	145.0
[M]-	216.02505	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe