CID 697744

554438-95-8

Structural Information

Molecular Formula

C₈H₈FNO₄S

SMILES

C1=CC=C(C(=C1)F)S(=O)(=O)NCC(=O)O

InChI

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

InChIKey

VCVJBFXDPYNOJC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	143.9
[M+Na]+	256.00503	151.7
[M-H]-	232.00853	145.2
[M+NH4]+	251.04963	160.9
[M+K]+	271.97897	148.6
[M+H-H2O]+	216.01307	137.2
[M+HCOO]-	278.01401	160.6
[M+CH3COO]-	292.02966	185.2
[M+Na-2H]-	253.99048	147.9
[M]+	233.01526	144.6
[M]-	233.01636	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe