CID 4777819

Methyl 5-fluoro-1h-indole-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

COC(=O)C1=CC2=C(N1)C=CC(=C2)F

InChI

InChI=1S/C10H8FNO2/c1-14-10(13)9-5-6-4-7(11)2-3-8(6)12-9/h2-5,12H,1H3

InChIKey

QUZGGDBUGGJROM-UHFFFAOYSA-N

Compound name

methyl 5-fluoro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 193.05391 Da
Monoisotopic Mass: 2.6
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]+	194.06119	138.4
[M+Na]+	216.04313	150.7
[M+NH4]+	211.08773	145.9
[M+K]+	232.01707	146.7
[M-H]-	192.04663	137.8
[M+Na-2H]-	214.02858	143.6
[M]+	193.05336	139.7
[M]-	193.05446	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe