CID 2782410

Perfluorooctene-2

Structural Information

Molecular Formula
C8F16
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C8F16/c9-1(2(10)4(13,14)15)3(11,12)5(16,17)6(18,19)7(20,21)8(22,23)24/b2-1+
InChIKey
RGBFMLVTZCWFSL-OWOJBTEDSA-N
Compound name
(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

399.97446 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.98174 164.2
[M+Na]+ 422.96368 164.3
[M+NH4]+ 418.00828 163.9
[M+K]+ 438.93762 164.3
[M-H]- 398.96718 162.2
[M+Na-2H]- 420.94913 164.1
[M]+ 399.97391 163.6
[M]- 399.97501 163.6
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

patents stripe