CID 501027

Chembl434851

Structural Information

Molecular Formula
C14H10ClFN2OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=CC=CC=N3
InChI
InChI=1S/C14H10ClFN2OS/c15-9-4-3-5-10(16)13(9)14-18(12(19)8-20-14)11-6-1-2-7-17-11/h1-7,14H,8H2
InChIKey
FTLAVCLHJCRRMX-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

308.01865 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02593 165.4
[M+Na]+ 331.00787 176.6
[M-H]- 307.01137 172.0
[M+NH4]+ 326.05247 181.0
[M+K]+ 346.98181 169.6
[M+H-H2O]+ 291.01591 156.7
[M+HCOO]- 353.01685 176.3
[M+CH3COO]- 367.03250 177.1
[M+Na-2H]- 328.99332 164.1
[M]+ 308.01810 166.7
[M]- 308.01920 166.7
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.