CID 11631

Ether, 4-chlorobutyl 4-fluorobutyl

Structural Information

Molecular Formula

C₈H₁₆ClFO

SMILES

C(CCF)COCCCCCl

InChI

InChI=1S/C8H16ClFO/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2

InChIKey

NPERCMMNVGTKTP-UHFFFAOYSA-N

Compound name

1-(4-chlorobutoxy)-4-fluorobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.08737 Da
Monoisotopic Mass: 2.4
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]+	183.09465	138.4
[M+Na]+	205.07659	145.6
[M-H]-	181.08009	136.7
[M+NH4]+	200.12119	159.4
[M+K]+	221.05053	142.8
[M+H-H2O]+	165.08463	133.5
[M+HCOO]-	227.08557	156.2
[M+CH3COO]-	241.10122	182.0
[M+Na-2H]-	203.06204	143.5
[M]+	182.08682	142.5
[M]-	182.08792	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.