CID 2778289

56860-83-4

Structural Information

Molecular Formula

C₄HCl₃F₆O

SMILES

C(C(OC(Cl)(Cl)Cl)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C4HCl3F6O/c5-4(6,7)14-3(12,13)1(8)2(9,10)11/h1H

InChIKey

CPUOWSYOQOXXNZ-UHFFFAOYSA-N

Compound name

1,1,1,2,3,3-hexafluoro-3-(trichloromethoxy)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 283.89972 Da
Monoisotopic Mass: 4.3
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]+	284.90700	137.3
[M+Na]+	306.88894	147.7
[M-H]-	282.89244	129.8
[M+NH4]+	301.93354	154.3
[M+K]+	322.86288	142.6
[M+H-H2O]+	266.89698	131.4
[M+HCOO]-	328.89792	136.1
[M+CH3COO]-	342.91357	194.9
[M+Na-2H]-	304.87439	141.6
[M]+	283.89917	132.5
[M]-	283.90027	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe