CID 104247

2-(perfluorobutyl)ethyl acrylate

Structural Information

Molecular Formula

C₉H₇F₉O₂

SMILES

C=CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C9H7F9O2/c1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2

InChIKey

GYUPEJSTJSFVRR-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,6-nonafluorohexyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2203
Patents: 318.03024 Da
Monoisotopic Mass: 4.2
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]+	319.03752	189.0
[M+Na]+	341.01946	189.5
[M+NH4]+	336.06406	187.9
[M+K]+	356.99340	186.8
[M-H]-	317.02296	180.3
[M+Na-2H]-	339.00491	185.3
[M]+	318.02969	186.2
[M]-	318.03079	186.2

Literature stripe

literature stripe

Patent stripe

patents stripe