CID 24802133

1-(6-fluoro-3-hydroxy-1h-indol-1-yl)ethanone

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

CC(=O)N1C=C(C2=C1C=C(C=C2)F)O

InChI

InChI=1S/C10H8FNO2/c1-6(13)12-5-10(14)8-3-2-7(11)4-9(8)12/h2-5,14H,1H3

InChIKey

UJLQOJWLQAMJCH-UHFFFAOYSA-N

Compound name

1-(6-fluoro-3-hydroxyindol-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 193.05391 Da
Monoisotopic Mass: 1.6
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]+	194.061186	135.9
[M+Na]+	216.043128	147.8
[M-H]-	192.046634	138.0
[M+NH4]+	211.087733	157.1
[M+K]+	232.017068	144.3
[M+H-H2O]+	176.051170	129.7
[M+HCOO]-	238.052111	158.1
[M+CH3COO]-	252.067761	181.0
[M+Na-2H]-	214.028576	141.0
[M]+	193.05336142	137.5
[M]-	193.05445858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe