CID 2727899

348-36-7

Structural Information

Molecular Formula

C₁₁H₁₀FNO₂

SMILES

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

InChI

InChI=1S/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3

InChIKey

VIKOQTQMWBKMNA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 369
Patents: 207.06955 Da
Monoisotopic Mass: 3.3
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]+	208.07683	141.2
[M+Na]+	230.05877	151.6
[M-H]-	206.06227	142.6
[M+NH4]+	225.10337	161.4
[M+K]+	246.03271	147.8
[M+H-H2O]+	190.06681	134.3
[M+HCOO]-	252.06775	163.0
[M+CH3COO]-	266.08340	182.8
[M+Na-2H]-	228.04422	146.3
[M]+	207.06900	142.6
[M]-	207.07010	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe