CID 6498201

2-(6-fluoro-1h-indol-1-yl)acetic acid

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

C1=CC(=CC2=C1C=CN2CC(=O)O)F

InChI

InChI=1S/C10H8FNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14)

InChIKey

UVPVRQIYZWPBEJ-UHFFFAOYSA-N

Compound name

2-(6-fluoroindol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 193.05391 Da
Monoisotopic Mass: 1.8
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]+	194.06119	138.2
[M+Na]+	216.04313	150.5
[M+NH4]+	211.08773	145.8
[M+K]+	232.01707	146.5
[M-H]-	192.04663	137.7
[M+Na-2H]-	214.02858	143.4
[M]+	193.05336	139.6
[M]-	193.05446	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe