CID 162345601

Ns00102989

Structural Information

Molecular Formula
C9H2F16
SMILES
C=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H2F16/c1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h1H2
InChIKey
WYSIIRZUWIQJCG-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.9901 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.99738 176.6
[M+Na]+ 436.97932 186.1
[M-H]- 412.98282 160.6
[M+NH4]+ 432.02392 163.4
[M+K]+ 452.95326 182.3
[M+H-H2O]+ 396.98736 161.8
[M+HCOO]- 458.98830 174.5
[M+CH3COO]- 473.00395 225.2
[M+Na-2H]- 434.96477 177.8
[M]+ 413.98955 150.8
[M]- 413.99065 150.8
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.