CID 2782391

Methyl 2-(trifluoromethyl)acrylate

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

COC(=O)C(=C)C(F)(F)F

InChI

InChI=1S/C5H5F3O2/c1-3(4(9)10-2)5(6,7)8/h1H2,2H3

InChIKey

GTRBXMICTQNNIN-UHFFFAOYSA-N

Compound name

methyl 2-(trifluoromethyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1125
Patents: 154.02417 Da
Monoisotopic Mass: 1.6
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	124.1
[M+Na]+	177.01339	132.6
[M-H]-	153.01689	121.0
[M+NH4]+	172.05799	145.2
[M+K]+	192.98733	132.5
[M+H-H2O]+	137.02143	117.9
[M+HCOO]-	199.02237	142.5
[M+CH3COO]-	213.03802	175.2
[M+Na-2H]-	174.99884	128.4
[M]+	154.02362	120.9
[M]-	154.02472	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe