CID 2776194

86217-01-8

Structural Information

Molecular Formula

C₁₀H₇F₁₁O₂

SMILES

C=CC(=O)OCCC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F

InChI

InChI=1S/C10H7F11O2/c1-2-5(22)23-4-3-6(11,12)8(14,15)7(13,9(16,17)18)10(19,20)21/h2H,1,3-4H2

InChIKey

UXVXKXDSDYDRTQ-UHFFFAOYSA-N

Compound name

[3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl] prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 689
Patents: 368.02704 Da
Monoisotopic Mass: 4.9
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]+	369.03432	168.7
[M+Na]+	391.01626	177.4
[M-H]-	367.01976	156.2
[M+NH4]+	386.06086	159.5
[M+K]+	406.99020	174.3
[M+H-H2O]+	351.02430	156.5
[M+HCOO]-	413.02524	172.2
[M+CH3COO]-	427.04089	214.0
[M+Na-2H]-	389.00171	170.9
[M]+	368.02649	153.9
[M]-	368.02759	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe