CID 68463636

887129-62-6

Structural Information

Molecular Formula

C₉H₁₀FNO₂S

SMILES

C1C(CS(=O)(=O)N1)C2=CC=C(C=C2)F

InChI

InChI=1S/C9H10FNO2S/c10-9-3-1-7(2-4-9)8-5-11-14(12,13)6-8/h1-4,8,11H,5-6H2

InChIKey

QDVHYYIPQMKWNX-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 215.04163 Da
Monoisotopic Mass: 1.0
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]+	216.048906	140.9
[M+Na]+	238.030848	150.9
[M-H]-	214.034354	144.4
[M+NH4]+	233.075453	162.0
[M+K]+	254.004788	146.6
[M+H-H2O]+	198.038890	134.7
[M+HCOO]-	260.039831	156.8
[M+CH3COO]-	274.055481	178.4
[M+Na-2H]-	236.016296	142.9
[M]+	215.04108142	138.9
[M]-	215.04217858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe