CID 796578

157187-14-9

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂S

SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C10H12FNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2

InChIKey

BLFZDHIRHPQTDJ-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)sulfonylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 59
Patents: 229.05728 Da
Monoisotopic Mass: 1.7
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]+	230.06456	149.8
[M+Na]+	252.04650	160.0
[M+NH4]+	247.09110	157.3
[M+K]+	268.02044	154.3
[M-H]-	228.05000	150.3
[M+Na-2H]-	250.03195	155.1
[M]+	229.05673	151.7
[M]-	229.05783	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe