CID 6448825

3-(4-fluorophenacyl)-5-(2-chlorobenzylidene)thiazolidine-2,4-dione

Structural Information

Molecular Formula
C18H11ClFNO3S
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)C3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C18H11ClFNO3S/c19-14-4-2-1-3-12(14)9-16-17(23)21(18(24)25-16)10-15(22)11-5-7-13(20)8-6-11/h1-9H,10H2/b16-9-
InChIKey
GWBUHGPXSJYLMM-SXGWCWSVSA-N
Compound name
(5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0132 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.02048 185.0
[M+Na]+ 398.00242 198.2
[M+NH4]+ 393.04702 191.6
[M+K]+ 413.97636 190.2
[M-H]- 374.00592 187.7
[M+Na-2H]- 395.98787 190.8
[M]+ 375.01265 188.2
[M]- 375.01375 188.2
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.