CID 193480

Pentafluorophenyl methacrylate

Structural Information

Molecular Formula

C₁₀H₅F₅O₂

SMILES

CC(=C)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C10H5F5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3

InChIKey

NIJWSVFNELSKMF-UHFFFAOYSA-N

Compound name

(2,3,4,5,6-pentafluorophenyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 18
References: 1586
Patents: 252.02097 Da
Monoisotopic Mass: 3.1
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]+	253.02825	142.6
[M+Na]+	275.01019	154.5
[M-H]-	251.01369	141.1
[M+NH4]+	270.05479	160.5
[M+K]+	290.98413	151.1
[M+H-H2O]+	235.01823	133.2
[M+HCOO]-	297.01917	160.2
[M+CH3COO]-	311.03482	197.6
[M+Na-2H]-	272.99564	141.5
[M]+	252.02042	138.9
[M]-	252.02152	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe