CID 71406050

1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4,5-tris(trifluoromethyl)hexane

Structural Information

Molecular Formula
C9F20
SMILES
C(C(C(F)(F)F)(C(F)(F)F)F)(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9F20/c10-2(7(21,22)23,8(24,25)26)1(5(15,16)17,6(18,19)20)3(11,12)4(13,14)9(27,28)29
InChIKey
XQSZQLMIDYQHEP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4,5-tris(trifluoromethyl)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.96805 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.97533 159.7
[M+Na]+ 510.95727 159.8
[M+NH4]+ 506.00187 159.7
[M+K]+ 526.93121 160.4
[M-H]- 486.96077 159.3
[M+Na-2H]- 508.94272 160.4
[M]+ 487.96750 159.6
[M]- 487.96860 159.6
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

No patent data available for this compound.