CID 138396288

Dtxsid10895323

Structural Information

Molecular Formula

C₁₂H₃F₂₂I

SMILES

C(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)I)C(C(F)(F)F)(F)F

InChI

InChI=1S/C12H3F22I/c13-3(14,11(29,30)31)1-2(35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)12(32,33)34/h2H,1H2

InChIKey

KWEXQPFKOSBNKY-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,11,11,12,12,12-docosafluoro-9-iodododecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 691.8928 Da
Monoisotopic Mass: 9.2
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]+	692.900076	213.8
[M+Na]+	714.882018	218.9
[M-H]-	690.885524	221.6
[M+NH4]+	709.926623	224.3
[M+K]+	730.855958	230.1
[M+H-H2O]+	674.890060	202.5
[M+HCOO]-	736.891001	229.7
[M+CH3COO]-	750.906651	253.6
[M+Na-2H]-	712.867466	212.4
[M]+	691.89225142	210.0
[M]-	691.89334858	210.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.