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
2
Annotation Hits

3
References

9
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 148.5
[M+Na]+ 249.94254 159.6
[M-H]- 225.94604 152.9
[M+NH4]+ 244.98714 169.2
[M+K]+ 265.91648 152.8
[M+H-H2O]+ 209.95058 144.6
[M+HCOO]- 271.95152 155.5
[M+CH3COO]- 285.96717 160.5
[M+Na-2H]- 247.92799 144.3
[M]+ 226.95277 146.9
[M]- 226.95387 146.9
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.