CID 138396311

8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentadecafluorotetradec-6-ene

Structural Information

Molecular Formula
C14H13F15
SMILES
CCCCCC=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H13F15/c1-2-3-4-5-6-7-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h6-7H,2-5H2,1H3
InChIKey
AEYWRUOLWSDNSX-UHFFFAOYSA-N
Compound name
8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentadecafluorotetradec-6-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

466.07776 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.08504 171.1
[M+Na]+ 489.06698 177.8
[M-H]- 465.07048 173.5
[M+NH4]+ 484.11158 178.1
[M+K]+ 505.04092 184.7
[M+H-H2O]+ 449.07502 181.9
[M+HCOO]- 511.07596 191.5
[M+CH3COO]- 525.09161 234.3
[M+Na-2H]- 487.05243 197.4
[M]+ 466.07721 170.1
[M]- 466.07831 170.1
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.