CID 13978926

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

Structural Information

Molecular Formula
C5F12O
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)OC(F)(F)F
InChI
InChI=1S/C5F12O/c6-2(7,8)1(3(9,10)11,4(12,13)14)18-5(15,16)17
InChIKey
WPJULLVPGWXWQS-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)-2-(trifluoromethyl)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

303.97574 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.98302 151.1
[M+Na]+ 326.96496 161.4
[M-H]- 302.96846 138.3
[M+NH4]+ 322.00956 165.3
[M+K]+ 342.93890 159.3
[M+H-H2O]+ 286.97300 138.6
[M+HCOO]- 348.97394 154.9
[M+CH3COO]- 362.98959 201.8
[M+Na-2H]- 324.95041 155.5
[M]+ 303.97519 133.4
[M]- 303.97629 133.4
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