CID 16721069

Chembl242378

Structural Information

Molecular Formula
C14H12ClFN2OS2
SMILES
CC1=C(SC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F)C
InChI
InChI=1S/C14H12ClFN2OS2/c1-7-8(2)21-14(17-7)18-11(19)6-20-13(18)12-9(15)4-3-5-10(12)16/h3-5,13H,6H2,1-2H3
InChIKey
UWWLOYVEIGMCBC-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.00635 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.01363 173.5
[M+Na]+ 364.99557 186.7
[M-H]- 340.99907 181.3
[M+NH4]+ 360.04017 190.9
[M+K]+ 380.96951 179.6
[M+H-H2O]+ 325.00361 167.5
[M+HCOO]- 387.00455 180.2
[M+CH3COO]- 401.02020 185.5
[M+Na-2H]- 362.98102 166.6
[M]+ 342.00580 177.9
[M]- 342.00690 177.9
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.