CID 16728003

924648-09-9

Structural Information

Molecular Formula
C13H10F2N2OS2
SMILES
CC1=CSC(=N1)N2C(SCC2=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C13H10F2N2OS2/c1-7-5-20-13(16-7)17-10(18)6-19-12(17)11-8(14)3-2-4-9(11)15/h2-5,12H,6H2,1H3
InChIKey
HFHHKGDVLJEOSC-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.02026 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02754 163.6
[M+Na]+ 335.00948 176.2
[M-H]- 311.01298 169.9
[M+NH4]+ 330.05408 181.1
[M+K]+ 350.98342 170.1
[M+H-H2O]+ 295.01752 156.2
[M+HCOO]- 357.01846 174.4
[M+CH3COO]- 371.03411 175.8
[M+Na-2H]- 332.99493 157.9
[M]+ 312.01971 164.7
[M]- 312.02081 164.7
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.