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 143.8
[M+Na]+ 253.04174 154.1
[M-H]- 229.04524 148.4
[M+NH4]+ 248.08634 164.6
[M+K]+ 269.01568 150.2
[M+H-H2O]+ 213.04978 137.2
[M+HCOO]- 275.05072 161.5
[M+CH3COO]- 289.06637 186.4
[M+Na-2H]- 251.02719 145.4
[M]+ 230.05197 142.3
[M]- 230.05307 142.3
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.