CID 22002951

1,1,1,2,2,3,3,4,4-nonafluorooctane

Structural Information

Molecular Formula
C8H9F9
SMILES
CCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F9/c1-2-3-4-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-4H2,1H3
InChIKey
DHVISCLQILVWLM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

57
Patents

276.05606 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06334 184.8
[M+Na]+ 299.04528 185.9
[M+NH4]+ 294.08988 184.6
[M+K]+ 315.01922 182.7
[M-H]- 275.04878 176.9
[M+Na-2H]- 297.03073 181.9
[M]+ 276.05551 182.4
[M]- 276.05661 182.4
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