CID 76545608

1,1,1,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoronon-2-ene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

161
Patents

413.9901 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.997376 179.2
[M+Na]+ 436.979318 188.9
[M-H]- 412.982824 163.1
[M+NH4]+ 432.023923 160.5
[M+K]+ 452.953258 184.6
[M+H-H2O]+ 396.987360 164.1
[M+HCOO]- 458.988301 175.2
[M+CH3COO]- 473.003951 223.4
[M+Na-2H]- 434.964766 181.1
[M]+ 413.98955142 153.7
[M]- 413.99064858 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