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

37
Patents

226.02286 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.030136 138.3
[M+Na]+ 249.012078 147.4
[M-H]- 225.015584 130.1
[M+NH4]+ 244.056683 156.2
[M+K]+ 264.986018 145.4
[M+H-H2O]+ 209.020120 129.0
[M+HCOO]- 271.021061 150.3
[M+CH3COO]- 285.036711 189.1
[M+Na-2H]- 246.997526 143.5
[M]+ 226.02231142 129.3
[M]- 226.02340858 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