CID 67550

1765-48-6

Structural Information

Molecular Formula

C₁₁H₂F₂₀O₂

SMILES

C(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11H2F20O2/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33/h1H,(H,32,33)

InChIKey

MMYNPHSPRPZSSN-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 53
Patents: 545.9736 Da
Monoisotopic Mass: 6.7
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]+	546.980876	172.4
[M+Na]+	568.962818	177.4
[M-H]-	544.966324	182.2
[M+NH4]+	564.007423	183.4
[M+K]+	584.936758	187.7
[M+H-H2O]+	528.970860	161.6
[M+HCOO]-	590.971801	187.8
[M+CH3COO]-	604.987451	243.0
[M+Na-2H]-	566.948266	172.8
[M]+	545.97305142	169.7
[M]-	545.97414858	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe