CID 72942189

Methyl 5-fluoro-1h-indole-7-carboxylate

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

COC(=O)C1=C2C(=CC(=C1)F)C=CN2

InChI

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

InChIKey

LUKPCFVRJNCQDT-UHFFFAOYSA-N

Compound name

methyl 5-fluoro-1H-indole-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 193.05391 Da
Monoisotopic Mass: 2.0
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	136.4
[M+Na]+	216.043128	147.3
[M-H]-	192.046634	138.0
[M+NH4]+	211.087733	157.2
[M+K]+	232.017068	143.7
[M+H-H2O]+	176.051170	129.8
[M+HCOO]-	238.052111	158.5
[M+CH3COO]-	252.067761	179.8
[M+Na-2H]-	214.028576	142.1
[M]+	193.05336142	137.5
[M]-	193.05445858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe