CID 503762

2-(2-chloro-6-fluoro-phenyl)-3-(3,5-difluoro-phenyl)-thiazolidin-4-one

Structural Information

Molecular Formula
C15H9ClF3NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C15H9ClF3NOS/c16-11-2-1-3-12(19)14(11)15-20(13(21)7-22-15)10-5-8(17)4-9(18)6-10/h1-6,15H,7H2
InChIKey
GLWOZEOLAYZGAP-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.00455 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.01183 170.0
[M+Na]+ 365.99377 182.5
[M-H]- 341.99727 175.8
[M+NH4]+ 361.03837 186.0
[M+K]+ 381.96771 174.5
[M+H-H2O]+ 326.00181 160.7
[M+HCOO]- 388.00275 179.8
[M+CH3COO]- 402.01840 181.6
[M+Na-2H]- 363.97922 166.0
[M]+ 343.00400 170.1
[M]- 343.00510 170.1
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.