CID 19033536

356-00-3

Structural Information

Molecular Formula
C6H5F7O
SMILES
C=COCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F7O/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h2H,1,3H2
InChIKey
UDAAMHMYEJUEDJ-UHFFFAOYSA-N
Compound name
4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

226.02286 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03014 171.3
[M+Na]+ 249.01208 173.8
[M+NH4]+ 244.05668 172.0
[M+K]+ 264.98602 170.4
[M-H]- 225.01558 162.4
[M+Na-2H]- 246.99753 169.1
[M]+ 226.02231 168.7
[M]- 226.02341 168.7
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