CID 24688542

2-(5-amino-2-fluorophenyl)-1lambda6,2-thiazolidine-1,1-dione

Structural Information

Molecular Formula
C9H11FN2O2S
SMILES
C1CN(S(=O)(=O)C1)C2=C(C=CC(=C2)N)F
InChI
InChI=1S/C9H11FN2O2S/c10-8-3-2-7(11)6-9(8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,11H2
InChIKey
DKVNISKJNLPACR-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.05252 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05980 146.9
[M+Na]+ 253.04174 156.8
[M+NH4]+ 248.08634 155.5
[M+K]+ 269.01568 149.6
[M-H]- 229.04524 148.1
[M+Na-2H]- 251.02719 153.1
[M]+ 230.05197 148.9
[M]- 230.05307 148.9
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.