CID 67495

Thioxanthene

Structural Information

Molecular Formula
C13H10S
SMILES
C1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
InChIKey
PQJUJGAVDBINPI-UHFFFAOYSA-N
Compound name
9H-thioxanthene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

75
References

33579
Patents

198.05032 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05760 137.3
[M+Na]+ 221.03954 153.6
[M+NH4]+ 216.08414 150.0
[M+K]+ 237.01348 141.9
[M-H]- 197.04304 143.2
[M+Na-2H]- 219.02499 146.7
[M]+ 198.04977 142.2
[M]- 198.05087 142.2
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