CID 23432497

181214-74-4

Structural Information

Molecular Formula

C₆H₃F₁₁O

SMILES

COC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C6H3F11O/c1-18-6(16,17)4(11,12)2(7,8)3(9,10)5(13,14)15/h1H3

InChIKey

FBPBXYQMWDFSOE-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 213
Patents: 300.00082 Da
Monoisotopic Mass: 4.0
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]+	301.00810	151.8
[M+Na]+	322.99004	161.5
[M-H]-	298.99354	139.7
[M+NH4]+	318.03464	166.1
[M+K]+	338.96398	159.5
[M+H-H2O]+	282.99808	139.9
[M+HCOO]-	344.99902	156.3
[M+CH3COO]-	359.01467	203.5
[M+Na-2H]-	320.97549	156.4
[M]+	300.00027	136.1
[M]-	300.00137	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe