CID 58114568

50807-72-2

Structural Information

Molecular Formula
C5H5F7O
SMILES
CC(C(F)(F)F)OC(C(F)F)(F)F
InChI
InChI=1S/C5H5F7O/c1-2(4(8,9)10)13-5(11,12)3(6)7/h2-3H,1H3
InChIKey
XJHZQQULQSNUMH-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.02286 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.030136 134.6
[M+Na]+ 237.012078 142.9
[M-H]- 213.015584 126.3
[M+NH4]+ 232.056683 152.8
[M+K]+ 252.986018 142.2
[M+H-H2O]+ 197.020120 124.9
[M+HCOO]- 259.021061 146.3
[M+CH3COO]- 273.036711 188.2
[M+Na-2H]- 234.997526 137.0
[M]+ 214.02231142 125.2
[M]- 214.02340858 125.2
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