CID 16728008

Chembl395768

Structural Information

Molecular Formula
C13H11ClFN3OS2
SMILES
CCC1=NN=C(S1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C13H11ClFN3OS2/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
LEYKPLQKYLFTQB-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.00162 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.00890 172.4
[M+Na]+ 365.99084 185.3
[M-H]- 341.99434 178.7
[M+NH4]+ 361.03544 188.1
[M+K]+ 381.96478 178.5
[M+H-H2O]+ 325.99888 165.5
[M+HCOO]- 387.99982 178.3
[M+CH3COO]- 402.01547 183.8
[M+Na-2H]- 363.97629 166.2
[M]+ 343.00107 176.4
[M]- 343.00217 176.4
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.