CID 9908930

(2z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene

Structural Information

Molecular Formula
C8F16
SMILES
C(=C(\C(F)(F)F)/F)(\C(C(F)(F)F)(C(F)(F)F)F)/C(C(F)(F)F)(F)F
InChI
InChI=1S/C8F16/c9-2(5(13,14)15)1(4(11,12)8(22,23)24)3(10,6(16,17)18)7(19,20)21/b2-1-
InChIKey
WUOLIJJSAIZFOF-UPHRSURJSA-N
Compound name
(Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

399.97446 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.981736 171.3
[M+Na]+ 422.963678 181.0
[M-H]- 398.967184 155.1
[M+NH4]+ 418.008283 162.1
[M+K]+ 438.937618 177.3
[M+H-H2O]+ 382.971720 156.4
[M+HCOO]- 444.972661 170.9
[M+CH3COO]- 458.988311 220.3
[M+Na-2H]- 420.949126 170.8
[M]+ 399.97391142 145.1
[M]- 399.97500858 145.1
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.