CID 40424039

886362-68-1

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)10-7(2)14-9-6-4-5-8(13)11(9)10/h4-6,14H,3H2,1-2H3

InChIKey

FFLAUZJZZHRPQM-UHFFFAOYSA-N

Compound name

ethyl 4-fluoro-2-methyl-1H-indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	147.6
[M+Na]+	244.07442	159.8
[M+NH4]+	239.11902	154.8
[M+K]+	260.04836	155.5
[M-H]-	220.07792	147.0
[M+Na-2H]-	242.05987	152.0
[M]+	221.08465	149.0
[M]-	221.08575	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe