CID 339225

91259-95-9

Structural Information

Molecular Formula
C12H8ClFN2OS2
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=NC=CS3
InChI
InChI=1S/C12H8ClFN2OS2/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
RROJLAIBXSMPBH-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-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

313.97507 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98235 165.2
[M+Na]+ 336.96429 177.8
[M-H]- 312.96779 172.6
[M+NH4]+ 332.00889 183.2
[M+K]+ 352.93823 171.3
[M+H-H2O]+ 296.97233 158.9
[M+HCOO]- 358.97327 172.7
[M+CH3COO]- 372.98892 177.4
[M+Na-2H]- 334.94974 160.4
[M]+ 313.97452 168.1
[M]- 313.97562 168.1
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.