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

829
Patents

228.0245 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03178 142.0
[M+Na]+ 251.01372 154.3
[M-H]- 227.01722 147.6
[M+NH4]+ 246.05832 162.8
[M+K]+ 266.98766 148.8
[M+H-H2O]+ 211.02176 136.6
[M+HCOO]- 273.02270 160.5
[M+CH3COO]- 287.03835 156.3
[M+Na-2H]- 248.99917 150.5
[M]+ 228.02395 146.4
[M]- 228.02505 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.