CID 71429342

3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene

Structural Information

Molecular Formula
C7H6F8O
SMILES
COCC=C(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H6F8O/c1-16-3-2-4(8)5(9,10)6(11,12)7(13,14)15/h2H,3H2,1H3
InChIKey
RLTXKMUREFPOAZ-UHFFFAOYSA-N
Compound name
3,4,4,5,5,6,6,6-octafluoro-1-methoxyhex-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

258.02908 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03636 145.5
[M+Na]+ 281.01830 154.1
[M-H]- 257.02180 136.0
[M+NH4]+ 276.06290 161.9
[M+K]+ 296.99224 151.9
[M+H-H2O]+ 241.02634 135.2
[M+HCOO]- 303.02728 155.1
[M+CH3COO]- 317.04293 195.1
[M+Na-2H]- 279.00375 148.3
[M]+ 258.02853 134.6
[M]- 258.02963 134.6
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

No patent data available for this compound.