CID 1241132

98800-08-9

Structural Information

Molecular Formula
C8H5NOS3
SMILES
C1=CSC(=C1)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C8H5NOS3/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4+
InChIKey
XLYORYAUKZCBPS-GQCTYLIASA-N
Compound name
(5E)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.95332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96060 148.0
[M+Na]+ 249.94254 156.7
[M+NH4]+ 244.98714 156.7
[M+K]+ 265.91648 148.7
[M-H]- 225.94604 150.1
[M+Na-2H]- 247.92799 149.9
[M]+ 226.95277 150.9
[M]- 226.95387 150.9
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.