CID 49768027

2-(2,6-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiazolidin-4-one

Structural Information

Molecular Formula
C16H10F5NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H10F5NOS/c17-11-5-2-6-12(18)14(11)15-22(13(23)8-24-15)10-4-1-3-9(7-10)16(19,20)21/h1-7,15H,8H2
InChIKey
JSLYQZDEOCZAIO-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.0403 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.04758 175.1
[M+Na]+ 382.02952 186.0
[M-H]- 358.03302 178.0
[M+NH4]+ 377.07412 189.2
[M+K]+ 398.00346 178.9
[M+H-H2O]+ 342.03756 163.4
[M+HCOO]- 404.03850 185.4
[M+CH3COO]- 418.05415 211.0
[M+Na-2H]- 380.01497 171.4
[M]+ 359.03975 170.1
[M]- 359.04085 170.1
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.