CID 53408001

Methyl 4-fluoro-1h-indole-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

COC(=O)C1=CNC2=C1C(=CC=C2)F

InChI

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

InChIKey

JADKJZGVQAWWPT-UHFFFAOYSA-N

Compound name

methyl 4-fluoro-1H-indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 193.05391 Da
Monoisotopic Mass: 2.7
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	138.4
[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

No literature data available for this compound.

Patent stripe

patents stripe