CID 59378527

54949-99-4

Structural Information

Molecular Formula

C₈H₉F₉O₂

SMILES

C(COCCO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H9F9O2/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2

InChIKey

INSNDRBNHLKUKX-UHFFFAOYSA-N

Compound name

2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 308.04587 Da
Monoisotopic Mass: 2.9
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]+	309.05315	158.2
[M+Na]+	331.03509	166.1
[M-H]-	307.03859	146.1
[M+NH4]+	326.07969	171.8
[M+K]+	347.00903	163.5
[M+H-H2O]+	291.04313	147.2
[M+HCOO]-	353.04407	164.4
[M+CH3COO]-	367.05972	201.8
[M+Na-2H]-	329.02054	161.7
[M]+	308.04532	146.5
[M]-	308.04642	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe