CID 98453490

Dtxsid10896678

Structural Information

Molecular Formula

C₁₂H₂F₂₂

SMILES

C(=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)\C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12H2F22/c13-3(14,1-2-4(15,16)6(19,20)9(25,26)11(29,30)31)5(17,18)7(21,22)8(23,24)10(27,28)12(32,33)34/h1-2H/b2-1+

InChIKey

NNVSZWKJFYBJPR-OWOJBTEDSA-N

Compound name

(E)-1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododec-5-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 563.9805 Da
Monoisotopic Mass: 8.1
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]+	564.987776	175.5
[M+Na]+	586.969718	180.9
[M-H]-	562.973224	183.4
[M+NH4]+	582.014323	185.5
[M+K]+	602.943658	191.8
[M+H-H2O]+	546.977760	163.8
[M+HCOO]-	608.978701	195.6
[M+CH3COO]-	622.994351	246.5
[M+Na-2H]-	584.955166	176.7
[M]+	563.97995142	173.5
[M]-	563.98104858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.