CID 9813012

89434-03-7

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

C1=CC2=C(C(=C1)F)C(=CN2)CC(=O)O

InChI

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

InChIKey

QBQZALKPPLUCQY-UHFFFAOYSA-N

Compound name

2-(4-fluoro-1H-indol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 92
Patents: 193.05391 Da
Monoisotopic Mass: 1.7
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	138.5
[M+Na]+	216.04313	150.2
[M+NH4]+	211.08773	145.7
[M+K]+	232.01707	146.5
[M-H]-	192.04663	137.4
[M+Na-2H]-	214.02858	143.1
[M]+	193.05336	139.6
[M]-	193.05446	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe