CID 12701

Methyl pentafluoromethacrylate

Structural Information

Molecular Formula

C₅H₃F₅O₂

SMILES

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

InChI

InChI=1S/C5H3F5O2/c1-12-4(11)2(3(6)7)5(8,9)10/h1H3

InChIKey

MRJFAPJDIVTPJG-UHFFFAOYSA-N

Compound name

methyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 60
Patents: 190.00533 Da
Monoisotopic Mass: 1.7
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]+	191.01261	151.7
[M+Na]+	212.99455	155.8
[M+NH4]+	208.03915	153.9
[M+K]+	228.96849	153.1
[M-H]-	188.99805	143.3
[M+Na-2H]-	210.98000	150.3
[M]+	190.00478	149.3
[M]-	190.00588	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe