CID 67889

2,2,2-trifluoroethyl acrylate

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

C=CC(=O)OCC(F)(F)F

InChI

InChI=1S/C5H5F3O2/c1-2-4(9)10-3-5(6,7)8/h2H,1,3H2

InChIKey

VBHXIMACZBQHPX-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 12691
Patents: 154.02417 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]+	155.03145	135.6
[M+Na]+	177.01339	142.6
[M+NH4]+	172.05799	140.2
[M+K]+	192.98733	138.7
[M-H]-	153.01689	129.5
[M+Na-2H]-	174.99884	136.6
[M]+	154.02362	134.4
[M]-	154.02472	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe