CID 9908930

Dtxsid40896328

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

1
Patents

399.97446 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.98174 171.3
[M+Na]+ 422.96368 181.0
[M-H]- 398.96718 155.1
[M+NH4]+ 418.00828 162.1
[M+K]+ 438.93762 177.3
[M+H-H2O]+ 382.97172 156.4
[M+HCOO]- 444.97266 170.9
[M+CH3COO]- 458.98831 220.3
[M+Na-2H]- 420.94913 170.8
[M]+ 399.97391 145.1
[M]- 399.97501 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.