CID 12534877

72804-48-9

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
2
Annotation Hits

0
References

31
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 137.0
[M+Na]+ 338.96496 149.1
[M-H]- 314.96846 129.2
[M+NH4]+ 334.00956 148.5
[M+K]+ 354.93890 148.1
[M+H-H2O]+ 298.97300 125.4
[M+HCOO]- 360.97394 141.2
[M+CH3COO]- 374.98959 206.8
[M+Na-2H]- 336.95041 144.6
[M]+ 315.97519 124.5
[M]- 315.97629 124.5
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

No patent data available for this compound.