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
2
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 161.3
[M+Na]+ 363.00137 170.4
[M-H]- 339.00487 147.9
[M+NH4]+ 358.04597 173.9
[M+K]+ 378.97531 166.2
[M+H-H2O]+ 323.00941 148.6
[M+HCOO]- 385.01035 163.2
[M+CH3COO]- 399.02600 211.1
[M+Na-2H]- 360.98682 162.7
[M]+ 340.01160 141.9
[M]- 340.01270 141.9
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