CID 16728009

924648-16-8

Structural Information

Molecular Formula
C13H11F2N3OS2
SMILES
CCC1=NN=C(S1)N2C(SCC2=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C13H11F2N3OS2/c1-2-9-16-17-13(21-9)18-10(19)6-20-12(18)11-7(14)4-3-5-8(11)15/h3-5,12H,2,6H2,1H3
InChIKey
FBIDJKGYZQWZPX-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

327.03116 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.03844 167.0
[M+Na]+ 350.02038 179.6
[M-H]- 326.02388 172.0
[M+NH4]+ 345.06498 182.6
[M+K]+ 365.99432 173.4
[M+H-H2O]+ 310.02842 158.9
[M+HCOO]- 372.02936 176.6
[M+CH3COO]- 386.04501 178.4
[M+Na-2H]- 348.00583 161.0
[M]+ 327.03061 168.5
[M]- 327.03171 168.5
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.