CID 3016470

48077-33-4

Structural Information

Molecular Formula

C₁₃H₇F₁₇O₂

SMILES

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

InChI

InChI=1S/C13H7F17O2/c1-4(2)5(31)32-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1,3H2,2H3

InChIKey

ZDXYSIRXXGOEEA-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 69
Patents: 518.01746 Da
Monoisotopic Mass: 6.9
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]+	519.024736	175.1
[M+Na]+	541.006678	181.9
[M-H]-	517.010184	184.2
[M+NH4]+	536.051283	187.5
[M+K]+	556.980618	190.6
[M+H-H2O]+	501.014720	165.8
[M+HCOO]-	563.015661	192.3
[M+CH3COO]-	577.031311	240.5
[M+Na-2H]-	538.992126	174.7
[M]+	518.01691142	174.0
[M]-	518.01800858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe