CID 13681324

Perfluoro(3-ethyl-2,3-dimethylpentane)

Structural Information

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.