CID 737156

1,4-bis(2,2,2-trifluoroethoxy)benzene

Structural Information

Molecular Formula

C₁₀H₈F₆O₂

SMILES

C1=CC(=CC=C1OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2

InChIKey

ZHUBFESHPMGIDZ-UHFFFAOYSA-N

Compound name

1,4-bis(2,2,2-trifluoroethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 274.04285 Da
Monoisotopic Mass: 4.1
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]+	275.05013	170.7
[M+Na]+	297.03207	175.5
[M+NH4]+	292.07667	172.7
[M+K]+	313.00601	171.2
[M-H]-	273.03557	163.9
[M+Na-2H]-	295.01752	171.2
[M]+	274.04230	169.1
[M]-	274.04340	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe