CID 10830385

1,1,1,2,2,3,3,4,4-nonafluorododecane

Structural Information

Molecular Formula

C₁₂H₁₇F₉

SMILES

CCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12H17F9/c1-2-3-4-5-6-7-8-9(13,14)10(15,16)11(17,18)12(19,20)21/h2-8H2,1H3

InChIKey

XUFPCAMLAPZMPS-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4-nonafluorododecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 22
Patents: 332.11865 Da
Monoisotopic Mass: 7.3
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]+	333.12593	170.7
[M+Na]+	355.10787	177.7
[M-H]-	331.11137	159.4
[M+NH4]+	350.15247	184.2
[M+K]+	371.08181	174.0
[M+H-H2O]+	315.11591	159.0
[M+HCOO]-	377.11685	176.6
[M+CH3COO]-	391.13250	212.3
[M+Na-2H]-	353.09332	172.2
[M]+	332.11810	159.5
[M]-	332.11920	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe