CID 117283373

2-(7-fluoro-1h-indol-6-yl)acetic acid

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

C1=CC(=C(C2=C1C=CN2)F)CC(=O)O

InChI

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

InChIKey

ZNBMQLUGSIKRRR-UHFFFAOYSA-N

Compound name

2-(7-fluoro-1H-indol-6-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.05391 Da
Monoisotopic Mass: 1.6
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]+	194.061186	136.6
[M+Na]+	216.043128	147.0
[M-H]-	192.046634	136.8
[M+NH4]+	211.087733	156.6
[M+K]+	232.017068	142.6
[M+H-H2O]+	176.051170	130.3
[M+HCOO]-	238.052111	157.3
[M+CH3COO]-	252.067761	178.0
[M+Na-2H]-	214.028576	141.9
[M]+	193.05336142	136.0
[M]-	193.05445858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.