CID 3056694

73825-97-5

Structural Information

Molecular Formula
C5H3F9O2
SMILES
C(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C5H3F9O2/c6-2(7,8)1-16-3(15,4(9,10)11)5(12,13)14/h15H,1H2
InChIKey
GWKLAAZIVXDZKM-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.99893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00621 144.3
[M+Na]+ 288.98815 153.6
[M-H]- 264.99165 132.9
[M+NH4]+ 284.03275 159.7
[M+K]+ 304.96209 151.8
[M+H-H2O]+ 248.99619 134.0
[M+HCOO]- 310.99713 151.5
[M+CH3COO]- 325.01278 191.8
[M+Na-2H]- 286.97360 149.4
[M]+ 265.99838 131.4
[M]- 265.99948 131.4
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

No patent data available for this compound.