CID 67495

9h-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
3
Annotation Hits

75
References

35251
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 136.4
[M+Na]+ 221.03954 145.4
[M-H]- 197.04304 141.9
[M+NH4]+ 216.08414 158.5
[M+K]+ 237.01348 140.6
[M+H-H2O]+ 181.04758 130.6
[M+HCOO]- 243.04852 153.1
[M+CH3COO]- 257.06417 149.9
[M+Na-2H]- 219.02499 144.6
[M]+ 198.04977 136.7
[M]- 198.05087 136.7
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.