CID 503766

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

Structural Information

Molecular Formula
C17H15F2NOS
SMILES
CC1=CC(=CC(=C1)N2C(SCC2=O)C3=C(C=CC=C3F)F)C
InChI
InChI=1S/C17H15F2NOS/c1-10-6-11(2)8-12(7-10)20-15(21)9-22-17(20)16-13(18)4-3-5-14(16)19/h3-8,17H,9H2,1-2H3
InChIKey
HBEMVRXEVHKVJV-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.08423 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09151 170.0
[M+Na]+ 342.07345 181.0
[M-H]- 318.07695 177.1
[M+NH4]+ 337.11805 186.2
[M+K]+ 358.04739 174.4
[M+H-H2O]+ 302.08149 160.8
[M+HCOO]- 364.08243 184.8
[M+CH3COO]- 378.09808 181.8
[M+Na-2H]- 340.05890 166.0
[M]+ 319.08368 169.7
[M]- 319.08478 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.