CID 124518895

M5fpic

Structural Information

Molecular Formula

C₁₅H₁₈FNO₂

SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CCCCCF

InChI

InChI=1S/C15H18FNO2/c1-19-15(18)13-11-17(10-6-2-5-9-16)14-8-4-3-7-12(13)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3

InChIKey

ZTIFWEBSTLDAMT-UHFFFAOYSA-N

Compound name

methyl 1-(5-fluoropentyl)indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 263.13217 Da
Monoisotopic Mass: 3.2
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]+	264.13945	159.9
[M+Na]+	286.12139	169.0
[M-H]-	262.12489	162.0
[M+NH4]+	281.16599	178.5
[M+K]+	302.09533	165.1
[M+H-H2O]+	246.12943	151.9
[M+HCOO]-	308.13037	181.8
[M+CH3COO]-	322.14602	197.4
[M+Na-2H]-	284.10684	163.2
[M]+	263.13162	164.6
[M]-	263.13272	164.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.