CID 54350848

Pyridin-3-yl sulfurofluoridate

Structural Information

Molecular Formula

C₅H₄FNO₃S

SMILES

C1=CC(=CN=C1)OS(=O)(=O)F

InChI

InChI=1S/C5H4FNO3S/c6-11(8,9)10-5-2-1-3-7-4-5/h1-4H

InChIKey

UFQFNSHKMJFAMH-UHFFFAOYSA-N

Compound name

3-fluorosulfonyloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 176.9896 Da
Monoisotopic Mass: 1.1
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]+	177.996876	128.9
[M+Na]+	199.978818	139.0
[M-H]-	175.982324	130.6
[M+NH4]+	195.023423	148.1
[M+K]+	215.952758	137.1
[M+H-H2O]+	159.986860	122.2
[M+HCOO]-	221.987801	146.7
[M+CH3COO]-	236.003451	173.2
[M+Na-2H]-	197.964266	135.8
[M]+	176.98905142	131.2
[M]-	176.99014858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe