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
2
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 162.7
[M+Na]+ 510.95727 168.7
[M-H]- 486.96077 169.6
[M+NH4]+ 506.00187 171.8
[M+K]+ 526.93121 177.5
[M+H-H2O]+ 470.96531 152.0
[M+HCOO]- 532.96625 183.8
[M+CH3COO]- 546.98190 234.7
[M+Na-2H]- 508.94272 164.1
[M]+ 487.96750 161.2
[M]- 487.96860 161.2
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.