CID 6478153

(5e)-3-amino-2-thioxo-5-[(2,4,5-trifluorophenyl)methylene]thiazolidin-4-one

Structural Information

Molecular Formula
C10H5F3N2OS2
SMILES
C1=C(C(=CC(=C1F)F)F)/C=C/2\C(=O)N(C(=S)S2)N
InChI
InChI=1S/C10H5F3N2OS2/c11-5-3-7(13)6(12)1-4(5)2-8-9(16)15(14)10(17)18-8/h1-3H,14H2/b8-2+
InChIKey
JYYWZCMCWOLORU-KRXBUXKQSA-N
Compound name
(5E)-3-amino-2-sulfanylidene-5-[(2,4,5-trifluorophenyl)methylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.97955 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.98683 153.9
[M+Na]+ 312.96877 165.8
[M-H]- 288.97227 155.8
[M+NH4]+ 308.01337 170.9
[M+K]+ 328.94271 157.9
[M+H-H2O]+ 272.97681 145.7
[M+HCOO]- 334.97775 163.2
[M+CH3COO]- 348.99340 199.8
[M+Na-2H]- 310.95422 148.6
[M]+ 289.97900 150.3
[M]- 289.98010 150.3
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.