CID 67227038

6-fluoro-4-methoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₈FNO₃

SMILES

COC1=CC(=CC2=C1C=C(N2)C(=O)O)F

InChI

InChI=1S/C10H8FNO3/c1-15-9-3-5(11)2-7-6(9)4-8(12-7)10(13)14/h2-4,12H,1H3,(H,13,14)

InChIKey

FMYHJHUNKLAGJB-UHFFFAOYSA-N

Compound name

6-fluoro-4-methoxy-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 209.04883 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]+	210.056106	139.3
[M+Na]+	232.038048	150.4
[M-H]-	208.041554	139.9
[M+NH4]+	227.082653	158.9
[M+K]+	248.011988	146.6
[M+H-H2O]+	192.046090	133.0
[M+HCOO]-	254.047031	160.1
[M+CH3COO]-	268.062681	181.3
[M+Na-2H]-	230.023496	143.9
[M]+	209.04828142	140.5
[M]-	209.04937858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe