CID 14043465

Dtxsid20896664

Structural Information

Molecular Formula
C12H15F9
SMILES
CCCCCC/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H15F9/c1-2-3-4-5-6-7-8-9(13,14)10(15,16)11(17,18)12(19,20)21/h7-8H,2-6H2,1H3/b8-7+
InChIKey
IICPDVVTTGLPAT-BQYQJAHWSA-N
Compound name
(E)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

330.103 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11028 169.1
[M+Na]+ 353.09222 176.5
[M-H]- 329.09572 157.9
[M+NH4]+ 348.13682 182.7
[M+K]+ 369.06616 172.2
[M+H-H2O]+ 313.10026 157.6
[M+HCOO]- 375.10120 175.3
[M+CH3COO]- 389.11685 210.7
[M+Na-2H]- 351.07767 170.7
[M]+ 330.10245 157.2
[M]- 330.10355 157.2
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.