CID 71331144

95842-03-8

Structural Information

Molecular Formula
C7F16O2
SMILES
C(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(OC(C(F)(F)F)(F)F)F
InChI
InChI=1S/C7F16O2/c8-1(2(9,10)11,24-6(20,21)3(12,13)14)5(18,19)25-7(22,23)4(15,16)17
InChIKey
QAXJXTAKJWPVPT-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexafluoro-2,3-bis(1,1,2,2,2-pentafluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

419.9643 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.97158 177.8
[M+Na]+ 442.95352 187.8
[M-H]- 418.95702 152.9
[M+NH4]+ 437.99812 156.2
[M+K]+ 458.92746 185.4
[M+H-H2O]+ 402.96156 162.8
[M+HCOO]- 464.96250 170.0
[M+CH3COO]- 478.97815 222.5
[M+Na-2H]- 440.93897 181.2
[M]+ 419.96375 146.9
[M]- 419.96485 146.9
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