CID 513678

2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-(6-methylpyridin-2-yl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H11ClF4N2OS
SMILES
CC1=NC(=CC=C1)N2C(SCC2=O)C3=C(C=CC(=C3F)Cl)C(F)(F)F
InChI
InChI=1S/C16H11ClF4N2OS/c1-8-3-2-4-11(22-8)23-12(24)7-25-15(23)13-9(16(19,20)21)5-6-10(17)14(13)18/h2-6,15H,7H2,1H3
InChIKey
UHJMDVBDMJTCNU-UHFFFAOYSA-N
Compound name
2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-(6-methylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.02167 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.02895 182.4
[M+Na]+ 413.01089 194.7
[M-H]- 389.01439 185.6
[M+NH4]+ 408.05549 195.1
[M+K]+ 428.98483 186.4
[M+H-H2O]+ 373.01893 171.5
[M+HCOO]- 435.01987 187.8
[M+CH3COO]- 449.03552 215.6
[M+Na-2H]- 410.99634 178.2
[M]+ 390.02112 181.6
[M]- 390.02222 181.6
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.