CID 2442124

565198-64-3

Structural Information

Molecular Formula

C₈H₈ClNO₄S

SMILES

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

InChI

InChI=1S/C8H8ClNO4S/c9-6-2-1-3-7(4-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)

InChIKey

VQWFYPPYALIWLV-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)sulfonylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 248.98625 Da
Monoisotopic Mass: 1.1
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]+	249.99353	146.9
[M+Na]+	271.97547	155.4
[M-H]-	247.97897	149.8
[M+NH4]+	267.02007	164.3
[M+K]+	287.94941	151.0
[M+H-H2O]+	231.98351	142.4
[M+HCOO]-	293.98445	160.3
[M+CH3COO]-	308.00010	186.3
[M+Na-2H]-	269.96092	151.2
[M]+	248.98570	150.7
[M]-	248.98680	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.