CID 3018246

71726-31-3

Structural Information

Molecular Formula
C11H6F16O
SMILES
C=COCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F16O/c1-2-28-3-5(14,15)7(18,19)9(22,23)11(26,27)10(24,25)8(20,21)6(16,17)4(12)13/h2,4H,1,3H2
InChIKey
PLZIKMVNRWVJKM-UHFFFAOYSA-N
Compound name
9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

458.01633 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.02361 162.4
[M+Na]+ 481.00555 169.3
[M-H]- 457.00905 167.4
[M+NH4]+ 476.05015 171.5
[M+K]+ 496.97949 176.1
[M+H-H2O]+ 441.01359 173.3
[M+HCOO]- 503.01453 181.3
[M+CH3COO]- 517.03018 232.5
[M+Na-2H]- 478.99100 162.0
[M]+ 458.01578 160.9
[M]- 458.01688 160.9
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