CID 58454459

443145-46-8

Structural Information

Molecular Formula

C₁₀H₉F₉O₂

SMILES

C=CC(=O)OCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H9F9O2/c1-2-6(20)21-5-3-4-7(11,12)8(13,14)9(15,16)10(17,18)19/h2H,1,3-5H2

InChIKey

LXCDRWZGUKTECU-UHFFFAOYSA-N

Compound name

4,4,5,5,6,6,7,7,7-nonafluoroheptyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 54
Patents: 332.04587 Da
Monoisotopic Mass: 4.5
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]+	333.05315	163.1
[M+Na]+	355.03509	171.2
[M-H]-	331.03859	152.3
[M+NH4]+	350.07969	176.4
[M+K]+	371.00903	168.3
[M+H-H2O]+	315.04313	151.9
[M+HCOO]-	377.04407	169.7
[M+CH3COO]-	391.05972	208.2
[M+Na-2H]-	353.02054	165.3
[M]+	332.04532	152.0
[M]-	332.04642	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe