CID 2778087

Vinyl perfluorooctanoate

Structural Information

Molecular Formula

C₁₀H₃F₁₅O₂

SMILES

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

InChI

InChI=1S/C10H3F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1H2

InChIKey

UCRSPYLHWASUKR-UHFFFAOYSA-N

Compound name

ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 154
Patents: 439.98935 Da
Monoisotopic Mass: 5.7
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]+	440.996626	157.3
[M+Na]+	462.978568	164.7
[M-H]-	438.982074	164.2
[M+NH4]+	458.023173	167.5
[M+K]+	478.952508	170.3
[M+H-H2O]+	422.986610	167.1
[M+HCOO]-	484.987551	177.8
[M+CH3COO]-	499.003201	226.8
[M+Na-2H]-	460.964016	157.4
[M]+	439.98880142	156.6
[M]-	439.98989858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe