CID 730269

13029-71-5

Structural Information

Molecular Formula

C₈H₈FNO₄S

SMILES

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

InChI

InChI=1S/C8H8FNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)

InChIKey

XAEAUZAGDOXYIE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 48
Patents: 233.01581 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]+	234.02309	146.7
[M+Na]+	256.00503	155.1
[M+NH4]+	251.04963	152.0
[M+K]+	271.97897	150.1
[M-H]-	232.00853	144.7
[M+Na-2H]-	253.99048	150.2
[M]+	233.01526	147.3
[M]-	233.01636	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe