CID 71331659

5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene

Structural Information

Molecular Formula
C9H9F9
SMILES
CC(=CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C
InChI
InChI=1S/C9H9F9/c1-5(2)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h3H,4H2,1-2H3
InChIKey
GBTVYCBTXQALCR-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

288.05606 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06334 153.6
[M+Na]+ 311.04528 161.9
[M-H]- 287.04878 143.1
[M+NH4]+ 306.08988 168.8
[M+K]+ 327.01922 158.9
[M+H-H2O]+ 271.05332 142.9
[M+HCOO]- 333.05426 159.8
[M+CH3COO]- 347.06991 202.7
[M+Na-2H]- 309.03073 155.8
[M]+ 288.05551 140.0
[M]- 288.05661 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.