CID 6448826

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

Structural Information

Molecular Formula
C18H11ClFNO3S
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)N(C(=O)S2)CC(=O)C3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C18H11ClFNO3S/c19-13-5-1-11(2-6-13)9-16-17(23)21(18(24)25-16)10-15(22)12-3-7-14(20)8-4-12/h1-9H,10H2/b16-9+
InChIKey
QQDKZRPJUKDGJN-CXUHLZMHSA-N
Compound name
(5E)-5-[(4-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 183.6
[M+Na]+ 398.00242 193.8
[M-H]- 374.00592 191.5
[M+NH4]+ 393.04702 197.6
[M+K]+ 413.97636 186.1
[M+H-H2O]+ 358.01046 175.6
[M+HCOO]- 420.01140 194.4
[M+CH3COO]- 434.02705 212.0
[M+Na-2H]- 395.98787 179.2
[M]+ 375.01265 186.4
[M]- 375.01375 186.4
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.