CID 122163935

Pyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula

C₅H₄FNO₂S

SMILES

C1=CN=CC=C1S(=O)(=O)F

InChI

InChI=1S/C5H4FNO2S/c6-10(8,9)5-1-3-7-4-2-5/h1-4H

InChIKey

XACQINRXYDRMMS-UHFFFAOYSA-N

Compound name

pyridine-4-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 160.99467 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]+	162.00195	129.1
[M+Na]+	183.98389	140.8
[M+NH4]+	179.02849	136.7
[M+K]+	199.95783	133.9
[M-H]-	159.98739	128.3
[M+Na-2H]-	181.96934	135.3
[M]+	160.99412	130.9
[M]-	160.99522	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe