CID 503750

2-(2-chloro-6-fluoro-phenyl)-3-(3-ethyl-phenyl)-thiazolidin-4-one

Structural Information

Molecular Formula
C17H15ClFNOS
SMILES
CCC1=CC(=CC=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C17H15ClFNOS/c1-2-11-5-3-6-12(9-11)20-15(21)10-22-17(20)16-13(18)7-4-8-14(16)19/h3-9,17H,2,10H2,1H3
InChIKey
GGHWDOHGRXRKCJ-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(3-ethylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0547 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06198 174.7
[M+Na]+ 358.04392 185.4
[M-H]- 334.04742 182.6
[M+NH4]+ 353.08852 190.9
[M+K]+ 374.01786 177.9
[M+H-H2O]+ 318.05196 166.7
[M+HCOO]- 380.05290 185.9
[M+CH3COO]- 394.06855 186.2
[M+Na-2H]- 356.02937 171.4
[M]+ 335.05415 177.1
[M]- 335.05525 177.1
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.