CID 2778248

53038-41-8

Structural Information

Molecular Formula

C₇H₆F₆O₂

SMILES

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

InChI

InChI=1S/C7H6F6O2/c1-3-4(14)15-5(2,6(8,9)10)7(11,12)13/h3H,1H2,2H3

InChIKey

ZGCKGVIUMPSSEG-UHFFFAOYSA-N

Compound name

(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 236.02719 Da
Monoisotopic Mass: 3.2
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]+	237.03447	140.7
[M+Na]+	259.01641	149.6
[M-H]-	235.01991	133.8
[M+NH4]+	254.06101	158.3
[M+K]+	274.99035	148.1
[M+H-H2O]+	219.02445	132.3
[M+HCOO]-	281.02539	153.0
[M+CH3COO]-	295.04104	189.4
[M+Na-2H]-	257.00186	145.1
[M]+	236.02664	133.4
[M]-	236.02774	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe