CID 10295

Thioxanthen-9-one

Structural Information

Molecular Formula
C13H8OS
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKey
YRHRIQCWCFGUEQ-UHFFFAOYSA-N
Compound name
thioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

92
References

55842
Patents

212.02959 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03687 138.4
[M+Na]+ 235.01881 150.5
[M-H]- 211.02231 145.1
[M+NH4]+ 230.06341 160.3
[M+K]+ 250.99275 145.2
[M+H-H2O]+ 195.02685 132.6
[M+HCOO]- 257.02779 158.3
[M+CH3COO]- 271.04344 153.2
[M+Na-2H]- 233.00426 147.8
[M]+ 212.02904 142.7
[M]- 212.03014 142.7
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