CID 68179707

1285403-82-8

Structural Information

Molecular Formula

C₁₀H₈FNO₃

SMILES

COC(=O)C1=CC2=C(N1)C=CC(=C2F)O

InChI

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

InChIKey

XEEBFBSCNPHZKH-UHFFFAOYSA-N

Compound name

methyl 4-fluoro-5-hydroxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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]+	210.05611	139.5
[M+Na]+	232.03805	150.8
[M-H]-	208.04155	140.2
[M+NH4]+	227.08265	159.2
[M+K]+	248.01199	147.0
[M+H-H2O]+	192.04609	133.3
[M+HCOO]-	254.04703	160.4
[M+CH3COO]-	268.06268	180.7
[M+Na-2H]-	230.02350	144.2
[M]+	209.04828	140.6
[M]-	209.04938	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe