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

2
Patents

283.89972 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.906996 137.3
[M+Na]+ 306.888938 147.7
[M-H]- 282.892444 129.8
[M+NH4]+ 301.933543 154.3
[M+K]+ 322.862878 142.6
[M+H-H2O]+ 266.896980 131.4
[M+HCOO]- 328.897921 136.1
[M+CH3COO]- 342.913571 194.9
[M+Na-2H]- 304.874386 141.6
[M]+ 283.89917142 132.5
[M]- 283.90026858 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe