CID 360916

Nsc623631

Structural Information

Molecular Formula
C10H8OS3
SMILES
C1CSC2=C(C1=O)SCC3=C2C=CS3
InChI
InChI=1S/C10H8OS3/c11-7-2-4-13-9-6-1-3-12-8(6)5-14-10(7)9/h1,3H,2,4-5H2
InChIKey
WUNITTBRRFZPKP-UHFFFAOYSA-N
Compound name
5,8,13-trithiatricyclo[7.4.0.02,6]trideca-1(9),2(6),3-trien-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

239.97372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98100 144.8
[M+Na]+ 262.96294 154.6
[M-H]- 238.96644 149.0
[M+NH4]+ 258.00754 167.0
[M+K]+ 278.93688 148.9
[M+H-H2O]+ 222.97098 141.7
[M+HCOO]- 284.97192 149.8
[M+CH3COO]- 298.98757 156.8
[M+Na-2H]- 260.94839 147.1
[M]+ 239.97317 144.9
[M]- 239.97427 144.9
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

No patent data available for this compound.