CID 12534877

(nonafluorobutyl)trifluorooxirane

Structural Information

Molecular Formula
C6F12O
SMILES
C1(C(O1)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6F12O/c7-1(8,3(11,12)5(14,15)16)2(9,10)4(13)6(17,18)19-4
InChIKey
HBBPUTOQGBFWPQ-UHFFFAOYSA-N
Compound name
2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

315.97574 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98302 174.8
[M+Na]+ 338.96496 174.4
[M+NH4]+ 334.00956 174.5
[M+K]+ 354.93890 173.5
[M-H]- 314.96846 171.1
[M+Na-2H]- 336.95041 173.9
[M]+ 315.97519 173.7
[M]- 315.97629 173.7
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