CID 71331143

1,1,1,2,3,3-hexafluoro-2,3-bis(trifluoromethoxy)propane

Structural Information

Molecular Formula
C5F12O2
SMILES
C(C(OC(F)(F)F)(F)F)(C(F)(F)F)(OC(F)(F)F)F
InChI
InChI=1S/C5F12O2/c6-1(2(7,8)9,18-4(12,13)14)3(10,11)19-5(15,16)17
InChIKey
RVFUYJVYFFEUCR-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexafluoro-2,3-bis(trifluoromethoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

319.97067 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.97795 154.0
[M+Na]+ 342.95989 164.2
[M-H]- 318.96339 141.0
[M+NH4]+ 338.00449 167.4
[M+K]+ 358.93383 162.5
[M+H-H2O]+ 302.96793 141.3
[M+HCOO]- 364.96887 158.0
[M+CH3COO]- 378.98452 204.2
[M+Na-2H]- 340.94534 158.7
[M]+ 319.97012 137.7
[M]- 319.97122 137.7
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.