CID 513688

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

Structural Information

Molecular Formula
C17H13ClF4N2OS
SMILES
CC1=CC(=NC(=C1)N2C(SCC2=O)C3=C(C=CC(=C3F)Cl)C(F)(F)F)C
InChI
InChI=1S/C17H13ClF4N2OS/c1-8-5-9(2)23-12(6-8)24-13(25)7-26-16(24)14-10(17(20,21)22)3-4-11(18)15(14)19/h3-6,16H,7H2,1-2H3
InChIKey
VBRJTUSSMIGXMN-UHFFFAOYSA-N
Compound name
2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-(4,6-dimethylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.03732 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.04460 186.9
[M+Na]+ 427.02654 199.5
[M-H]- 403.03004 190.2
[M+NH4]+ 422.07114 199.3
[M+K]+ 443.00048 191.1
[M+H-H2O]+ 387.03458 176.0
[M+HCOO]- 449.03552 191.9
[M+CH3COO]- 463.05117 219.8
[M+Na-2H]- 425.01199 181.5
[M]+ 404.03677 186.7
[M]- 404.03787 186.7
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.