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]+ 253.02580 147.5
[M+Na]+ 275.00774 161.2
[M-H]- 251.01124 137.5
[M+NH4]+ 270.05234 176.8
[M+K]+ 290.98168 155.4
[M+H-H2O]+ 235.01578 137.1
[M+HCOO]- 297.01672 152.8
[M+CH3COO]- 311.03237 157.7
[M+Na-2H]- 272.99319 156.5
[M]+ 252.01797 140.8
[M]- 252.01907 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.