CID 2774751

780-97-2

Structural Information

Molecular Formula

C₉H₁₀FNO₄S

SMILES

CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C9H10FNO4S/c1-6(9(12)13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,11H,1H3,(H,12,13)

InChIKey

JOYNOYIEQOCUEJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 247.03146 Da
Monoisotopic Mass: 1.0
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]+	248.03874	148.2
[M+Na]+	270.02068	155.2
[M-H]-	246.02418	149.3
[M+NH4]+	265.06528	164.5
[M+K]+	285.99462	152.5
[M+H-H2O]+	230.02872	141.4
[M+HCOO]-	292.02966	163.5
[M+CH3COO]-	306.04531	189.1
[M+Na-2H]-	268.00613	150.6
[M]+	247.03091	148.6
[M]-	247.03201	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe