CID 24688920

1016697-24-7

Structural Information

Molecular Formula

C₉H₁₁FN₂O₂S

SMILES

C1CN(S(=O)(=O)C1)C2=CC(=C(C=C2)F)N

InChI

InChI=1S/C9H11FN2O2S/c10-8-3-2-7(6-9(8)11)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,11H2

InChIKey

QQTJCVCJNLNKIH-UHFFFAOYSA-N

Compound name

5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.059796	143.8
[M+Na]+	253.041738	154.1
[M-H]-	229.045244	148.4
[M+NH4]+	248.086343	164.6
[M+K]+	269.015678	150.2
[M+H-H2O]+	213.049780	137.2
[M+HCOO]-	275.050721	161.5
[M+CH3COO]-	289.066371	186.4
[M+Na-2H]-	251.027186	145.4
[M]+	230.05197142	142.3
[M]-	230.05306858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe