CID 94783

Oxonane, hexadecafluoro-

Structural Information

Molecular Formula
C8F16O
SMILES
C1(C(C(C(C(OC(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F16O/c9-1(10)2(11,12)4(15,16)6(19,20)8(23,24)25-7(21,22)5(17,18)3(1,13)14
InChIKey
KYMNDYVYZVFFPQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorooxonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

415.96936 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.976636 213.9
[M+Na]+ 438.958578 218.4
[M-H]- 414.962084 215.1
[M+NH4]+ 434.003183 215.2
[M+K]+ 454.932518 215.4
[M+H-H2O]+ 398.966620 209.1
[M+HCOO]- 460.967561 215.4
[M+CH3COO]- 474.983211 215.5
[M+Na-2H]- 436.944026 215.5
[M]+ 415.96881142 215.1
[M]- 415.96990858 215.1
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