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
3
Annotation Hits

0
References

155
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 154.7
[M+Na]+ 354.95989 164.0
[M-H]- 330.96339 141.2
[M+NH4]+ 350.00449 167.4
[M+K]+ 370.93383 161.9
[M+H-H2O]+ 314.96793 141.6
[M+HCOO]- 376.96887 158.3
[M+CH3COO]- 390.98452 207.4
[M+Na-2H]- 352.94534 155.8
[M]+ 331.97012 137.8
[M]- 331.97122 137.8
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