CID 503765

2-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H15ClFNOS
SMILES
CC1=CC(=CC(=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F)C
InChI
InChI=1S/C17H15ClFNOS/c1-10-6-11(2)8-12(7-10)20-15(21)9-22-17(20)16-13(18)4-3-5-14(16)19/h3-8,17H,9H2,1-2H3
InChIKey
HSAYXNQOZWECCH-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0547 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06198 174.5
[M+Na]+ 358.04392 186.0
[M-H]- 334.04742 182.7
[M+NH4]+ 353.08852 191.0
[M+K]+ 374.01786 178.5
[M+H-H2O]+ 318.05196 166.8
[M+HCOO]- 380.05290 185.6
[M+CH3COO]- 394.06855 186.3
[M+Na-2H]- 356.02937 170.5
[M]+ 335.05415 177.2
[M]- 335.05525 177.2
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.