CID 85549144

113999-55-6

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/c1-3-4-5-6-7-8(2)9(13,14)10(15,16)11(17,18)12(19,20)21/h7H,3-6H2,1-2H3
InChIKey
VWTHYYFOIOPGBF-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-5-methylundec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.103 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11028 167.8
[M+Na]+ 353.09222 175.0
[M-H]- 329.09572 156.8
[M+NH4]+ 348.13682 181.4
[M+K]+ 369.06616 171.2
[M+H-H2O]+ 313.10026 156.5
[M+HCOO]- 375.10120 173.1
[M+CH3COO]- 389.11685 211.4
[M+Na-2H]- 351.07767 168.4
[M]+ 330.10245 155.3
[M]- 330.10355 155.3
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.