CID 162396465

Dtxsid001032501

Structural Information

Molecular Formula

C₁₂H₁₂F₁₅N

SMILES

C(CCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCN

InChI

InChI=1S/C12H12F15N/c13-6(14,4-2-1-3-5-28)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1-5,28H2

InChIKey

BRYAEZYBDVYGFK-UHFFFAOYSA-N

Compound name

6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododecan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 455.07303 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]+	456.080306	192.7
[M+Na]+	478.062248	172.1
[M-H]-	454.065754	168.8
[M+NH4]+	473.106853	170.1
[M+K]+	494.036188	195.7
[M+H-H2O]+	438.070290	177.4
[M+HCOO]-	500.071231	183.1
[M+CH3COO]-	514.086881	234.3
[M+Na-2H]-	476.047696	193.4
[M]+	455.07248142	161.2
[M]-	455.07357858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.