CID 9794568

2-hydroxy-9h-thioxanthen-9-one

Structural Information

Molecular Formula

C₁₃H₈O₂S

SMILES

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

InChI

InChI=1S/C13H8O2S/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,14H

InChIKey

ANHLDZMOXDYFMQ-UHFFFAOYSA-N

Compound name

2-hydroxythioxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 833
Patents: 228.0245 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]+	229.03178	143.0
[M+Na]+	251.01372	160.3
[M+NH4]+	246.05832	153.9
[M+K]+	266.98766	149.7
[M-H]-	227.01722	147.6
[M+Na-2H]-	248.99917	151.9
[M]+	228.02395	147.6
[M]-	228.02505	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe