CID 45036900

(5-fluoroindol-1-yl)acetic acid

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

C1=CC2=C(C=CN2CC(=O)O)C=C1F

InChI

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

InChIKey

HWMIWHZKBNDAMQ-UHFFFAOYSA-N

Compound name

2-(5-fluoroindol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
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	136.1
[M+Na]+	216.04313	146.9
[M-H]-	192.04663	137.7
[M+NH4]+	211.08773	156.9
[M+K]+	232.01707	143.4
[M+H-H2O]+	176.05117	129.5
[M+HCOO]-	238.05211	158.3
[M+CH3COO]-	252.06776	180.5
[M+Na-2H]-	214.02858	141.8
[M]+	193.05336	137.3
[M]-	193.05446	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe