CID 83092

Heptafluoroisopropyl acrylate

Structural Information

Molecular Formula

C₆H₃F₇O₂

SMILES

C=CC(=O)OC(C(F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2

InChIKey

JTCVKNUSIGHJRG-UHFFFAOYSA-N

Compound name

1,1,1,2,3,3,3-heptafluoropropan-2-yl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 725
Patents: 240.00212 Da
Monoisotopic Mass: 3.3
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]+	241.009396	139.0
[M+Na]+	262.991338	148.3
[M-H]-	238.994844	131.0
[M+NH4]+	258.035943	156.3
[M+K]+	278.965278	146.7
[M+H-H2O]+	222.999380	129.9
[M+HCOO]-	285.000321	150.6
[M+CH3COO]-	299.015971	189.4
[M+Na-2H]-	260.976786	143.3
[M]+	240.00157142	129.9
[M]-	240.00266858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe