CID 23189766

1,1,1,2,2,3,3,4-octafluoro-4-pentene

Structural Information

Molecular Formula
C5H2F8
SMILES
C=C(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C5H2F8/c1-2(6)3(7,8)4(9,10)5(11,12)13/h1H2
InChIKey
ZTRDINUYDYRXAA-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,5-octafluoropent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

752
Patents

214.00287 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.010146 132.4
[M+Na]+ 236.992088 141.8
[M-H]- 212.995594 123.3
[M+NH4]+ 232.036693 150.5
[M+K]+ 252.966028 139.6
[M+H-H2O]+ 197.000130 122.6
[M+HCOO]- 259.001071 142.4
[M+CH3COO]- 273.016721 188.1
[M+Na-2H]- 234.977536 136.2
[M]+ 214.00232142 119.5
[M]- 214.00341858 119.5
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