CID 69620

3,3,4,4,5,5,6,6-octafluoroocta-1,7-diene

Structural Information

Molecular Formula
C8H6F8
SMILES
C=CC(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F8/c1-3-5(9,10)7(13,14)8(15,16)6(11,12)4-2/h3-4H,1-2H2
InChIKey
XRSMAKAYKVRPSA-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6-octafluoroocta-1,7-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

368
Patents

254.03418 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04146 144.9
[M+Na]+ 277.02340 153.9
[M-H]- 253.02690 135.6
[M+NH4]+ 272.06800 161.3
[M+K]+ 292.99734 150.4
[M+H-H2O]+ 237.03144 135.1
[M+HCOO]- 299.03238 153.5
[M+CH3COO]- 313.04803 196.4
[M+Na-2H]- 275.00885 149.3
[M]+ 254.03363 132.4
[M]- 254.03473 132.4
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