CID 3013873

Ethyl trifluoroacrylate

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

CCOC(=O)C(=C(F)F)F

InChI

InChI=1S/C5H5F3O2/c1-2-10-5(9)3(6)4(7)8/h2H2,1H3

InChIKey

FMFMWMOBOFPQMW-UHFFFAOYSA-N

Compound name

ethyl 2,3,3-trifluoroprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 154.02417 Da
Monoisotopic Mass: 1.4
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]+	155.031446	125.2
[M+Na]+	177.013388	133.0
[M-H]-	153.016894	121.8
[M+NH4]+	172.057993	146.0
[M+K]+	192.987328	132.9
[M+H-H2O]+	137.021430	118.3
[M+HCOO]-	199.022371	144.1
[M+CH3COO]-	213.038021	175.8
[M+Na-2H]-	174.998836	127.4
[M]+	154.02362142	121.8
[M]-	154.02471858	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe