CID 320955

3-(4-fluorophenyl)-2,4-thiazolidinedione

Structural Information

Molecular Formula
C9H6FNO2S
SMILES
C1C(=O)N(C(=O)S1)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H6FNO2S/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKey
GBIHEFJCOPTIGP-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

211.01033 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01761 140.1
[M+Na]+ 233.99955 150.5
[M-H]- 210.00305 145.2
[M+NH4]+ 229.04415 160.2
[M+K]+ 249.97349 147.0
[M+H-H2O]+ 194.00759 133.2
[M+HCOO]- 256.00853 157.5
[M+CH3COO]- 270.02418 182.4
[M+Na-2H]- 231.98500 140.5
[M]+ 211.00978 139.9
[M]- 211.01088 139.9
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.