CID 35451

Ether, octyl 1,1,2,2-tetrafluoroethyl

Structural Information

Molecular Formula

C₁₀H₁₈F₄O

SMILES

CCCCCCCCOC(C(F)F)(F)F

InChI

InChI=1S/C10H18F4O/c1-2-3-4-5-6-7-8-15-10(13,14)9(11)12/h9H,2-8H2,1H3

InChIKey

TWTXQRINZHHWMF-UHFFFAOYSA-N

Compound name

1-(1,1,2,2-tetrafluoroethoxy)octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 230.12938 Da
Monoisotopic Mass: 5.1
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]+	231.13666	151.1
[M+Na]+	253.11860	157.0
[M-H]-	229.12210	145.3
[M+NH4]+	248.16320	169.0
[M+K]+	269.09254	155.3
[M+H-H2O]+	213.12664	142.6
[M+HCOO]-	275.12758	166.9
[M+CH3COO]-	289.14323	193.6
[M+Na-2H]-	251.10405	152.9
[M]+	230.12883	149.1
[M]-	230.12993	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe