CID 2248043

405919-75-7

Structural Information

Molecular Formula

C₁₀H₁₂FNO₄S

SMILES

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

InChI

InChI=1S/C10H12FNO4S/c11-8-3-5-9(6-4-8)17(15,16)12-7-1-2-10(13)14/h3-6,12H,1-2,7H2,(H,13,14)

InChIKey

BPQIMZMQDTUPAE-UHFFFAOYSA-N

Compound name

4-[(4-fluorophenyl)sulfonylamino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 261.04712 Da
Monoisotopic Mass: 0.8
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]+	262.054396	152.8
[M+Na]+	284.036338	159.7
[M-H]-	260.039844	153.7
[M+NH4]+	279.080943	168.7
[M+K]+	300.010278	156.2
[M+H-H2O]+	244.044380	145.7
[M+HCOO]-	306.045321	168.9
[M+CH3COO]-	320.060971	191.2
[M+Na-2H]-	282.021786	155.8
[M]+	261.04657142	154.2
[M]-	261.04766858	154.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.