CID 67624

3,4-ddu

Structural Information

Molecular Formula

C₁₃H₂₅FO₂

SMILES

CCOC(=O)CCCCCCCCCCF

InChI

InChI=1S/C13H25FO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3

InChIKey

ZVUDVNKAIMHDLN-UHFFFAOYSA-N

Compound name

ethyl 11-fluoroundecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.18385 Da
Monoisotopic Mass: 4.5
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]+	233.19113	158.9
[M+Na]+	255.17307	163.4
[M-H]-	231.17657	156.6
[M+NH4]+	250.21767	177.0
[M+K]+	271.14701	161.7
[M+H-H2O]+	215.18111	152.1
[M+HCOO]-	277.18205	179.1
[M+CH3COO]-	291.19770	194.2
[M+Na-2H]-	253.15852	160.4
[M]+	232.18330	163.2
[M]-	232.18440	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.