CID 2529383

790725-72-3

Structural Information

Molecular Formula

C₈H₈FNO₅S

SMILES

C1=CC(=CC=C1F)S(=O)(=O)NOCC(=O)O

InChI

InChI=1S/C8H8FNO5S/c9-6-1-3-7(4-2-6)16(13,14)10-15-5-8(11)12/h1-4,10H,5H2,(H,11,12)

InChIKey

JYCJJJKCRVCGKY-UHFFFAOYSA-N

Compound name

2-[(4-fluorophenyl)sulfonylamino]oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 249.01073 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]+	250.01801	149.5
[M+Na]+	271.99995	157.4
[M+NH4]+	267.04455	154.3
[M+K]+	287.97389	153.0
[M-H]-	248.00345	147.0
[M+Na-2H]-	269.98540	152.7
[M]+	249.01018	149.9
[M]-	249.01128	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.