CID 3020925

1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane

Structural Information

Molecular Formula
C6H2F12
SMILES
C(C(C(F)(F)F)F)(C(C(F)(F)F)(C(F)(F)F)F)F
InChI
InChI=1S/C6H2F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/h1-2H
InChIKey
JTAGPVKELVRAHG-UHFFFAOYSA-N
Compound name
1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

301.9965 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00378 178.5
[M+Na]+ 324.98572 178.8
[M+NH4]+ 320.03032 177.8
[M+K]+ 340.95966 177.1
[M-H]- 300.98922 173.1
[M+Na-2H]- 322.97117 176.4
[M]+ 301.99595 176.8
[M]- 301.99705 176.8
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