CID 129957702

Methyl 6-fluoro-4-hydroxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₈FNO₃

SMILES

COC(=O)C1=CC2=C(N1)C=C(C=C2O)F

InChI

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

InChIKey

WYIWCHAKPJSZGW-UHFFFAOYSA-N

Compound name

methyl 6-fluoro-4-hydroxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	139.5
[M+Na]+	232.038048	150.8
[M-H]-	208.041554	140.2
[M+NH4]+	227.082653	159.2
[M+K]+	248.011988	147.0
[M+H-H2O]+	192.046090	133.3
[M+HCOO]-	254.047031	160.4
[M+CH3COO]-	268.062681	180.7
[M+Na-2H]-	230.023496	144.2
[M]+	209.04828142	140.6
[M]-	209.04937858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe