CID 71402022

4,5,5,6,6,7,7,8,8,9,9,9-dodecafluoronona-1,3-diene

Structural Information

Molecular Formula
C9H4F12
SMILES
C=CC=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H4F12/c1-2-3-4(10)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)21/h2-3H,1H2
InChIKey
NUPKTKVGELCXPF-UHFFFAOYSA-N
Compound name
4,5,5,6,6,7,7,8,8,9,9,9-dodecafluoronona-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.01215 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.01943 182.8
[M+Na]+ 363.00137 183.0
[M+NH4]+ 358.04597 181.9
[M+K]+ 378.97531 181.1
[M-H]- 339.00487 177.3
[M+Na-2H]- 360.98682 180.5
[M]+ 340.01160 181.1
[M]- 340.01270 181.1
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.