CID 65364810

5-fluoro-1-(methoxymethyl)-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₀FNO

SMILES

COCN1C=CC2=C1C=CC(=C2)F

InChI

InChI=1S/C10H10FNO/c1-13-7-12-5-4-8-6-9(11)2-3-10(8)12/h2-6H,7H2,1H3

InChIKey

PTGJGKMXHMMYGA-UHFFFAOYSA-N

Compound name

5-fluoro-1-(methoxymethyl)indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.07465 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]+	180.081926	133.2
[M+Na]+	202.063868	144.6
[M-H]-	178.067374	136.0
[M+NH4]+	197.108473	155.5
[M+K]+	218.037808	141.5
[M+H-H2O]+	162.071910	126.3
[M+HCOO]-	224.072851	157.5
[M+CH3COO]-	238.088501	181.1
[M+Na-2H]-	200.049316	140.5
[M]+	179.07410142	136.1
[M]-	179.07519858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.