CID 2775936

Pentafluorobenzyl methacrylate (stabilized with bht)

Structural Information

Molecular Formula

C₁₁H₇F₅O₂

SMILES

CC(=C)C(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C11H7F5O2/c1-4(2)11(17)18-3-5-6(12)8(14)10(16)9(15)7(5)13/h1,3H2,2H3

InChIKey

DSESELHEBRQXBA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 444
Patents: 266.03662 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]+	267.04390	147.4
[M+Na]+	289.02584	159.0
[M-H]-	265.02934	145.8
[M+NH4]+	284.07044	164.8
[M+K]+	304.99978	155.3
[M+H-H2O]+	249.03388	137.9
[M+HCOO]-	311.03482	164.7
[M+CH3COO]-	325.05047	200.6
[M+Na-2H]-	287.01129	145.9
[M]+	266.03607	144.1
[M]-	266.03717	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe