CID 15828066

3,3,4,4,5,5,6,6-octafluoro-1-hexene

Structural Information

Molecular Formula
C6H4F8
SMILES
C=CC(C(C(C(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H4F8/c1-2-4(9,10)6(13,14)5(11,12)3(7)8/h2-3H,1H2
InChIKey
AMSKBEPWWFORCT-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6-octafluorohex-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

226
Patents

228.01852 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02580 137.1
[M+Na]+ 251.00774 146.0
[M-H]- 227.01124 127.7
[M+NH4]+ 246.05234 154.5
[M+K]+ 266.98168 143.5
[M+H-H2O]+ 211.01578 127.1
[M+HCOO]- 273.01672 146.8
[M+CH3COO]- 287.03237 191.7
[M+Na-2H]- 248.99319 140.4
[M]+ 228.01797 124.6
[M]- 228.01907 124.6
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

patents stripe