CID 11615218

Pyridine-2-sulfonyl fluoride

Structural Information

Molecular Formula

C₅H₄FNO₂S

SMILES

C1=CC=NC(=C1)S(=O)(=O)F

InChI

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

InChIKey

FCFXLXGZHDHJLB-UHFFFAOYSA-N

Compound name

pyridine-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 336
Patents: 160.99467 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]+	162.001946	125.5
[M+Na]+	183.983888	135.8
[M-H]-	159.987394	127.3
[M+NH4]+	179.028493	145.5
[M+K]+	199.957828	133.4
[M+H-H2O]+	143.991930	119.0
[M+HCOO]-	205.992871	143.1
[M+CH3COO]-	220.008521	171.1
[M+Na-2H]-	181.969336	132.3
[M]+	160.99412142	126.4
[M]-	160.99521858	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe