CID 139595215

Hpflca_i n=9

Structural Information

Molecular Formula

C₁₁H₂F₂₀O₂

SMILES

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

InChIKey

HFLWLMAASPISEA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
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	172.7
[M+Na]+	568.962818	177.8
[M-H]-	544.966324	182.6
[M+NH4]+	564.007423	183.7
[M+K]+	584.936758	188.0
[M+H-H2O]+	528.970860	161.9
[M+HCOO]-	590.971801	188.2
[M+CH3COO]-	604.987451	242.4
[M+Na-2H]-	566.948266	173.1
[M]+	545.97305142	170.0
[M]-	545.97414858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.