CID 16739613

Pentafluoroethyl prop-2-enoate

Structural Information

Molecular Formula
C5H3F5O2
SMILES
C=CC(=O)OC(C(F)(F)F)(F)F
InChI
InChI=1S/C5H3F5O2/c1-2-3(11)12-5(9,10)4(6,7)8/h2H,1H2
InChIKey
GYXUNDYSSCDRAG-UHFFFAOYSA-N
Compound name
1,1,2,2,2-pentafluoroethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

779
Patents

190.00533 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01261 129.2
[M+Na]+ 212.99455 138.4
[M-H]- 188.99805 123.6
[M+NH4]+ 208.03915 148.6
[M+K]+ 228.96849 137.3
[M+H-H2O]+ 173.00259 121.5
[M+HCOO]- 235.00353 144.8
[M+CH3COO]- 249.01918 180.6
[M+Na-2H]- 210.98000 134.3
[M]+ 190.00478 123.3
[M]- 190.00588 123.3
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