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]+ 416.97664 165.6
[M+Na]+ 438.95858 180.6
[M-H]- 414.96208 154.2
[M+NH4]+ 434.00318 183.3
[M+K]+ 454.93252 178.3
[M+H-H2O]+ 398.96662 154.5
[M+HCOO]- 460.96756 164.7
[M+CH3COO]- 474.98321 222.2
[M+Na-2H]- 436.94403 170.0
[M]+ 415.96881 144.5
[M]- 415.96991 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