CID 11630

593-20-4

Structural Information

Molecular Formula

C₈H₁₇FO₂

SMILES

CCCCOCCOCCF

InChI

InChI=1S/C8H17FO2/c1-2-3-5-10-7-8-11-6-4-9/h2-8H2,1H3

InChIKey

PITAMMZNZDCPRU-UHFFFAOYSA-N

Compound name

1-[2-(2-fluoroethoxy)ethoxy]butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 164.12126 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]+	165.12854	136.4
[M+Na]+	187.11048	142.8
[M-H]-	163.11398	134.8
[M+NH4]+	182.15508	157.3
[M+K]+	203.08442	142.6
[M+H-H2O]+	147.11852	130.4
[M+HCOO]-	209.11946	159.0
[M+CH3COO]-	223.13511	180.0
[M+Na-2H]-	185.09593	141.9
[M]+	164.12071	140.2
[M]-	164.12181	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe