CID 76545610

1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene

Structural Information

Molecular Formula
C9H2F16
SMILES
C(=CC(C(C(F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H2F16/c10-3(11,5(14,15)7(18,19)9(23,24)25)1-2-4(12,13)6(16,17)8(20,21)22/h1-2H
InChIKey
KIUZUQZPXYDQBR-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-hexadecafluoronon-4-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

147
Patents

413.9901 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.99738 179.2
[M+Na]+ 436.97932 188.9
[M-H]- 412.98282 163.1
[M+NH4]+ 432.02392 160.5
[M+K]+ 452.95326 184.6
[M+H-H2O]+ 396.98736 164.1
[M+HCOO]- 458.98830 175.2
[M+CH3COO]- 473.00395 223.4
[M+Na-2H]- 434.96477 181.1
[M]+ 413.98955 153.7
[M]- 413.99065 153.7
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