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

patents stripe