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

232
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

literature stripe

Patent stripe

patents stripe