CID 55280200

1261588-77-5

Structural Information

Molecular Formula

C₅H₃ClFNO₃S

SMILES

C1=C(C(=O)NC=C1S(=O)(=O)Cl)F

InChI

InChI=1S/C5H3ClFNO3S/c6-12(10,11)3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)

InChIKey

ZZGLGYFMXNVMSG-UHFFFAOYSA-N

Compound name

5-fluoro-6-oxo-1H-pyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 210.95062 Da
Monoisotopic Mass: 0.3
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]+	211.95790	132.3
[M+Na]+	233.93984	144.4
[M-H]-	209.94334	133.3
[M+NH4]+	228.98444	150.8
[M+K]+	249.91378	139.3
[M+H-H2O]+	193.94788	127.3
[M+HCOO]-	255.94882	144.1
[M+CH3COO]-	269.96447	176.0
[M+Na-2H]-	231.92529	137.2
[M]+	210.95007	134.6
[M]-	210.95117	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe