CID 592488

1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene

Structural Information

Molecular Formula
C8H4F8
SMILES
C1CC2(C(=C(C1(C(C2(F)F)(F)F)F)F)F)F
InChI
InChI=1S/C8H4F8/c9-3-4(10)6(12)2-1-5(3,11)7(13,14)8(6,15)16/h1-2H2
InChIKey
MILCJPLPEMJWKH-UHFFFAOYSA-N
Compound name
1,2,3,4,5,5,6,6-octafluorobicyclo[2.2.2]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01852 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.025796 147.5
[M+Na]+ 275.007738 161.2
[M-H]- 251.011244 137.5
[M+NH4]+ 270.052343 176.8
[M+K]+ 290.981678 155.4
[M+H-H2O]+ 235.015780 137.1
[M+HCOO]- 297.016721 152.8
[M+CH3COO]- 311.032371 157.7
[M+Na-2H]- 272.993186 156.5
[M]+ 252.01797142 140.8
[M]- 252.01906858 140.8
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.