CID 503744

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

Structural Information

Molecular Formula
C15H10Cl2FNOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10Cl2FNOS/c16-9-3-1-4-10(7-9)19-13(20)8-21-15(19)14-11(17)5-2-6-12(14)18/h1-7,15H,8H2
InChIKey
QZEFOOIMYDFYNR-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.9844 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.99168 172.2
[M+Na]+ 363.97362 183.9
[M-H]- 339.97712 179.7
[M+NH4]+ 359.01822 188.6
[M+K]+ 379.94756 176.0
[M+H-H2O]+ 323.98166 165.0
[M+HCOO]- 385.98260 179.0
[M+CH3COO]- 399.99825 183.7
[M+Na-2H]- 361.95907 169.2
[M]+ 340.98385 175.0
[M]- 340.98495 175.0
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.