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
2
Annotation Hits

0
References

45
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 150.5
[M+Na]+ 299.04528 158.8
[M-H]- 275.04878 140.1
[M+NH4]+ 294.08988 166.1
[M+K]+ 315.01922 156.6
[M+H-H2O]+ 259.05332 139.8
[M+HCOO]- 321.05426 156.8
[M+CH3COO]- 335.06991 201.5
[M+Na-2H]- 297.03073 153.1
[M]+ 276.05551 137.2
[M]- 276.05661 137.2
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