CID 486673

4-thiazolidinone, 2-(2,6-difluorophenyl)-3-phenyl-

Structural Information

Molecular Formula
C15H11F2NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=CC=CC=C3
InChI
InChI=1S/C15H11F2NOS/c16-11-7-4-8-12(17)14(11)15-18(13(19)9-20-15)10-5-2-1-3-6-10/h1-8,15H,9H2
InChIKey
PTHIBCABAMGAHS-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

291.05295 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06023 161.5
[M+Na]+ 314.04217 171.7
[M-H]- 290.04567 168.2
[M+NH4]+ 309.08677 178.3
[M+K]+ 330.01611 165.5
[M+H-H2O]+ 274.05021 152.2
[M+HCOO]- 336.05115 177.0
[M+CH3COO]- 350.06680 173.4
[M+Na-2H]- 312.02762 159.8
[M]+ 291.05240 159.7
[M]- 291.05350 159.7
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.