CID 67744

2,2,3,3,3-pentafluoropropyl acrylate

Structural Information

Molecular Formula
C6H5F5O2
SMILES
C=CC(=O)OCC(C(F)(F)F)(F)F
InChI
InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2
InChIKey
JDVGNKIUXZQTFD-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2574
Patents

204.02097 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02825 134.0
[M+Na]+ 227.01019 142.8
[M-H]- 203.01369 128.2
[M+NH4]+ 222.05479 152.9
[M+K]+ 242.98413 141.5
[M+H-H2O]+ 187.01823 126.1
[M+HCOO]- 249.01917 149.3
[M+CH3COO]- 263.03482 183.6
[M+Na-2H]- 224.99564 138.5
[M]+ 204.02042 128.5
[M]- 204.02152 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe