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

880
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

literature stripe

Patent stripe

patents stripe