CID 2529383

2-[(4-fluorobenzenesulfonamido)oxy]acetic acid

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]+	250.018006	146.7
[M+Na]+	271.999948	154.3
[M-H]-	248.003454	147.9
[M+NH4]+	267.044553	162.9
[M+K]+	287.973888	151.7
[M+H-H2O]+	232.007990	139.8
[M+HCOO]-	294.008931	163.7
[M+CH3COO]-	308.024581	187.4
[M+Na-2H]-	269.985396	150.9
[M]+	249.01018142	148.8
[M]-	249.01127858	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.