CID 6448824

3-phenacyl-5-(3-fluorobenzylidene)thiazolidine-2,4-dione

Structural Information

Molecular Formula
C18H12FNO3S
SMILES
C1=CC=C(C=C1)C(=O)CN2C(=O)/C(=C\C3=CC(=CC=C3)F)/SC2=O
InChI
InChI=1S/C18H12FNO3S/c19-14-8-4-5-12(9-14)10-16-17(22)20(18(23)24-16)11-15(21)13-6-2-1-3-7-13/h1-10H,11H2/b16-10+
InChIKey
BROYDCLOXVZVOZ-MHWRWJLKSA-N
Compound name
(5E)-5-[(3-fluorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0522 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05948 177.3
[M+Na]+ 364.04142 186.1
[M-H]- 340.04492 185.0
[M+NH4]+ 359.08602 191.6
[M+K]+ 380.01536 179.8
[M+H-H2O]+ 324.04946 168.5
[M+HCOO]- 386.05040 192.8
[M+CH3COO]- 400.06605 207.2
[M+Na-2H]- 362.02687 174.0
[M]+ 341.05165 177.5
[M]- 341.05275 177.5
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.