CID 40424040

886362-69-2

Structural Information

Molecular Formula

C₁₂H₁₂FNO₂

SMILES

CCOC(=O)C1=C(NC2=C1C=CC(=C2)F)C

InChI

InChI=1S/C12H12FNO2/c1-3-16-12(15)11-7(2)14-10-6-8(13)4-5-9(10)11/h4-6,14H,3H2,1-2H3

InChIKey

GOKWPANDLYARQA-UHFFFAOYSA-N

Compound name

ethyl 6-fluoro-2-methyl-1H-indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 221.0852 Da
Monoisotopic Mass: 2.8
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]+	222.09248	145.6
[M+Na]+	244.07442	156.5
[M-H]-	220.07792	147.2
[M+NH4]+	239.11902	165.6
[M+K]+	260.04836	152.5
[M+H-H2O]+	204.08246	138.9
[M+HCOO]-	266.08340	167.0
[M+CH3COO]-	280.09905	187.0
[M+Na-2H]-	242.05987	149.5
[M]+	221.08465	147.8
[M]-	221.08575	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe