CID 503760

3-(3,5-dichlorophenyl)-2-(2,6-difluorophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C15H9Cl2F2NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2F2NOS/c16-8-4-9(17)6-10(5-8)20-13(21)7-22-15(20)14-11(18)2-1-3-12(14)19/h1-6,15H,7H2
InChIKey
WRMRATZPUMRFQW-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.975 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.98228 173.7
[M+Na]+ 381.96422 186.3
[M-H]- 357.96772 180.1
[M+NH4]+ 377.00882 189.6
[M+K]+ 397.93816 177.9
[M+H-H2O]+ 341.97226 165.9
[M+HCOO]- 403.97320 179.4
[M+CH3COO]- 417.98885 185.0
[M+Na-2H]- 379.94967 169.6
[M]+ 358.97445 176.0
[M]- 358.97555 176.0
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.