CID 503759

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

Structural Information

Molecular Formula
C15H9Cl3FNOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl3FNOS/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
XDJGIHRALBWMMS-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(3,5-dichlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.94543 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.95271 178.2
[M+Na]+ 397.93465 190.3
[M-H]- 373.93815 184.6
[M+NH4]+ 392.97925 193.4
[M+K]+ 413.90859 182.1
[M+H-H2O]+ 357.94269 171.7
[M+HCOO]- 419.94363 179.5
[M+CH3COO]- 433.95928 188.7
[M+Na-2H]- 395.92010 173.6
[M]+ 374.94488 181.4
[M]- 374.94598 181.4
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.