CID 130642641

Pyrrolidine-3-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula

C₄H₈FNO₂S

SMILES

C1CNCC1S(=O)(=O)F

InChI

InChI=1S/C4H8FNO2S/c5-9(7,8)4-1-2-6-3-4/h4,6H,1-3H2

InChIKey

FPSAZTFAOJJQII-UHFFFAOYSA-N

Compound name

pyrrolidine-3-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.02597 Da
Monoisotopic Mass: -0.1
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]+	154.03325	128.0
[M+Na]+	176.01519	136.1
[M-H]-	152.01869	127.7
[M+NH4]+	171.05979	149.2
[M+K]+	191.98913	134.1
[M+H-H2O]+	136.02323	122.3
[M+HCOO]-	198.02417	142.2
[M+CH3COO]-	212.03982	166.3
[M+Na-2H]-	174.00064	130.5
[M]+	153.02542	124.7
[M]-	153.02652	124.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.