CID 13451001

Perfluoro-5-(pentafluoroethyl)oxolane

Structural Information

Molecular Formula
C6F12O
SMILES
C1(C(C(OC1(C(C(F)(F)F)(F)F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6F12O/c7-1(8)2(9,10)6(17,18)19-4(1,13)3(11,12)5(14,15)16
InChIKey
AJYRBQGTPUSTHS-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,2-pentafluoroethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

215
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 141.1
[M+Na]+ 338.96496 155.4
[M-H]- 314.96846 133.0
[M+NH4]+ 334.00956 163.2
[M+K]+ 354.93890 153.5
[M+H-H2O]+ 298.97300 132.3
[M+HCOO]- 360.97394 148.1
[M+CH3COO]- 374.98959 203.3
[M+Na-2H]- 336.95041 146.6
[M]+ 315.97519 126.1
[M]- 315.97629 126.1
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.