CID 2782413

34598-33-9

Structural Information

Molecular Formula

C₁₁H₅F₁₇O₂

SMILES

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

InChI

InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)

InChIKey

JZRCRCFPVAXHHQ-UHFFFAOYSA-N

Compound name

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 215
Patents: 492.0018 Da
Monoisotopic Mass: 5.9
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]+	493.009076	164.6
[M+Na]+	514.991018	169.9
[M-H]-	490.994524	171.8
[M+NH4]+	510.035623	173.5
[M+K]+	530.964958	177.9
[M+H-H2O]+	474.999060	154.1
[M+HCOO]-	537.000001	182.5
[M+CH3COO]-	551.015651	234.4
[M+Na-2H]-	512.976466	163.8
[M]+	492.00125142	162.7
[M]-	492.00234858	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe