CID 71411365

Methyl 2,3,4,4,5,5,6,6,6-nonafluorohex-2-enoate

Structural Information

Molecular Formula

C₇H₃F₉O₂

SMILES

COC(=O)C(=C(C(C(C(F)(F)F)(F)F)(F)F)F)F

InChI

InChI=1S/C7H3F9O2/c1-18-4(17)2(8)3(9)5(10,11)6(12,13)7(14,15)16/h1H3

InChIKey

BMZXVEHIABGCAD-UHFFFAOYSA-N

Compound name

methyl 2,3,4,4,5,5,6,6,6-nonafluorohex-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 289.99893 Da
Monoisotopic Mass: 3.0
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]+	291.006206	147.7
[M+Na]+	312.988148	156.3
[M-H]-	288.991654	137.2
[M+NH4]+	308.032753	162.5
[M+K]+	328.962088	154.5
[M+H-H2O]+	272.996190	136.8
[M+HCOO]-	334.997131	154.9
[M+CH3COO]-	349.012781	199.9
[M+Na-2H]-	310.973596	148.1
[M]+	289.99838142	134.8
[M]-	289.99947858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.