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

4
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

literature stripe

Patent stripe

patents stripe