CID 22613616

40573-09-9

Structural Information

Molecular Formula
C6F12O2
SMILES
C(=C(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6F12O2/c7-1(8)2(9)19-4(12,13)3(10,11)5(14,15)20-6(16,17)18
InChIKey
ZWWNWGPNBZIACR-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)-3-(trifluoromethoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

150
Patents

331.97067 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.97795 179.8
[M+Na]+ 354.95989 179.9
[M+NH4]+ 350.00449 178.9
[M+K]+ 370.93383 178.4
[M-H]- 330.96339 174.2
[M+Na-2H]- 352.94534 177.5
[M]+ 331.97012 178.0
[M]- 331.97122 178.0
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