CID 11230396

1h,1h,1h,2h,2h-nonafluorohexane

Structural Information

Molecular Formula
C6H5F9
SMILES
CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H2,1H3
InChIKey
RTGGFPLAKRCINA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6344
Patents

248.02475 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03203 142.4
[M+Na]+ 271.01397 151.7
[M-H]- 247.01747 132.2
[M+NH4]+ 266.05857 159.1
[M+K]+ 286.98791 149.5
[M+H-H2O]+ 231.02201 131.9
[M+HCOO]- 293.02295 150.2
[M+CH3COO]- 307.03860 195.0
[M+Na-2H]- 268.99942 147.0
[M]+ 248.02420 129.0
[M]- 248.02530 129.0
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