CID 22011098

1,1,1,2,2,3,3,4,4-nonafluoro-6-methylheptane

Structural Information

Molecular Formula
C8H9F9
SMILES
CC(C)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F9/c1-4(2)3-5(9,10)6(11,12)7(13,14)8(15,16)17/h4H,3H2,1-2H3
InChIKey
SNFZCVZPABDNFP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-methylheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

276.05606 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06334 184.9
[M+Na]+ 299.04528 185.9
[M+NH4]+ 294.08988 184.6
[M+K]+ 315.01922 183.0
[M-H]- 275.04878 176.9
[M+Na-2H]- 297.03073 181.9
[M]+ 276.05551 182.5
[M]- 276.05661 182.5
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