CID 16728000

924648-06-6

Structural Information

Molecular Formula
C12H8F2N2OS2
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=NC=CS3
InChI
InChI=1S/C12H8F2N2OS2/c13-7-2-1-3-8(14)10(7)11-16(9(17)6-19-11)12-15-4-5-18-12/h1-5,11H,6H2
InChIKey
SWEIRTAPHPEBRO-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.0046 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01188 159.4
[M+Na]+ 320.99382 171.7
[M-H]- 296.99732 165.6
[M+NH4]+ 316.03842 177.2
[M+K]+ 336.96776 165.9
[M+H-H2O]+ 281.00186 151.9
[M+HCOO]- 343.00280 170.6
[M+CH3COO]- 357.01845 171.7
[M+Na-2H]- 318.97927 154.7
[M]+ 298.00405 159.8
[M]- 298.00515 159.8
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.