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
2
Annotation Hits

0
References

36
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 138.3
[M+Na]+ 249.01208 147.4
[M-H]- 225.01558 130.1
[M+NH4]+ 244.05668 156.2
[M+K]+ 264.98602 145.4
[M+H-H2O]+ 209.02012 129.0
[M+HCOO]- 271.02106 150.3
[M+CH3COO]- 285.03671 189.1
[M+Na-2H]- 246.99753 143.5
[M]+ 226.02231 129.3
[M]- 226.02341 129.3
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