CID 83754251

1538941-50-2

Structural Information

Molecular Formula

C₁₀H₈FNO₃

SMILES

C1C2=C(C=CC(=C2)F)N(C1=O)CC(=O)O

InChI

InChI=1S/C10H8FNO3/c11-7-1-2-8-6(3-7)4-9(13)12(8)5-10(14)15/h1-3H,4-5H2,(H,14,15)

InChIKey

FMXGFSMRUMHZLD-UHFFFAOYSA-N

Compound name

2-(5-fluoro-2-oxo-3H-indol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.04883 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]+	210.056106	140.3
[M+Na]+	232.038048	150.1
[M-H]-	208.041554	141.5
[M+NH4]+	227.082653	160.3
[M+K]+	248.011988	147.0
[M+H-H2O]+	192.046090	133.9
[M+HCOO]-	254.047031	159.9
[M+CH3COO]-	268.062681	183.6
[M+Na-2H]-	230.023496	143.5
[M]+	209.04828142	139.7
[M]-	209.04937858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.