CID 74534

3,3,4,4,5,5,6,6,6-nonafluorohexyl methacrylate

Structural Information

Molecular Formula

C₁₀H₉F₉O₂

SMILES

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

InChI

InChI=1S/C10H9F9O2/c1-5(2)6(20)21-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3

InChIKey

TYNRPOFACABVSI-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1721
Patents: 332.04587 Da
Monoisotopic Mass: 4.6
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]+	333.05315	161.5
[M+Na]+	355.03509	169.5
[M-H]-	331.03859	150.9
[M+NH4]+	350.07969	174.8
[M+K]+	371.00903	167.0
[M+H-H2O]+	315.04313	150.6
[M+HCOO]-	377.04407	167.2
[M+CH3COO]-	391.05972	209.0
[M+Na-2H]-	353.02054	162.7
[M]+	332.04532	149.8
[M]-	332.04642	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe