CID 67923

424-64-6

Structural Information

Molecular Formula

C₇H₅F₇O₂

SMILES

C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H5F7O2/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2

InChIKey

PLXOUIVCSUBZIX-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2600
Patents: 254.01778 Da
Monoisotopic Mass: 3.2
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]+	255.02506	175.6
[M+Na]+	277.00700	177.5
[M+NH4]+	272.05160	175.7
[M+K]+	292.98094	174.6
[M-H]-	253.01050	166.1
[M+Na-2H]-	274.99245	172.6
[M]+	254.01723	172.7
[M]-	254.01833	172.7

Literature stripe

literature stripe

Patent stripe

patents stripe