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

2
Annotation Hits: 0
References: 1261
Patents: 192.02097 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.02825	153.2
[M+Na]+	215.01019	157.5
[M+NH4]+	210.05479	155.6
[M+K]+	230.98413	154.5
[M-H]-	191.01369	144.8
[M+Na-2H]-	212.99564	152.3
[M]+	192.02042	150.9
[M]-	192.02152	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe