CID 23236488

2,2,3,3,4,4,5,6,6-nonafluoro-5-(heptafluoropropyl)oxane

Structural Information

Molecular Formula
C8F16O
SMILES
C1(C(C(C(OC1(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8F16O/c9-1(2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)8(23,24)25-7(1,21)22
InChIKey
XKNYFWLDZZKNPB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,6,6-nonafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
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 165.6
[M+Na]+ 438.958578 180.6
[M-H]- 414.962084 154.2
[M+NH4]+ 434.003183 183.3
[M+K]+ 454.932518 178.3
[M+H-H2O]+ 398.966620 154.5
[M+HCOO]- 460.967561 164.7
[M+CH3COO]- 474.983211 222.2
[M+Na-2H]- 436.944026 170.0
[M]+ 415.96881142 144.5
[M]- 415.96990858 144.5
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

patents stripe