CID 67928

Ethyl pentafluoropropionate

Structural Information

Molecular Formula
C5H5F5O2
SMILES
CCOC(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3
InChIKey
DBOFMRQAMAZKQY-UHFFFAOYSA-N
Compound name
ethyl 2,2,3,3,3-pentafluoropropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1359
Patents

192.02097 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02825 130.9
[M+Na]+ 215.01019 139.8
[M-H]- 191.01369 125.3
[M+NH4]+ 210.05479 150.4
[M+K]+ 230.98413 139.4
[M+H-H2O]+ 175.01823 123.1
[M+HCOO]- 237.01917 146.3
[M+CH3COO]- 251.03482 181.6
[M+Na-2H]- 212.99564 135.9
[M]+ 192.02042 125.7
[M]- 192.02152 125.7
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