CID 11971315

94159-85-0

Structural Information

Molecular Formula

C₁₃H₁₀F₁₇NO

SMILES

C1CN1CC(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)O

InChI

InChI=1S/C13H10F17NO/c14-6(15,3-5(32)4-31-1-2-31)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h5,32H,1-4H2

InChIKey

SONGXJCUEWDGMO-UHFFFAOYSA-N

Compound name

1-(aziridin-1-yl)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 519.0491 Da
Monoisotopic Mass: 5.6
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]+	520.056376	180.2
[M+Na]+	542.038318	183.9
[M-H]-	518.041824	181.2
[M+NH4]+	537.082923	184.9
[M+K]+	558.012258	182.4
[M+H-H2O]+	502.046360	163.3
[M+HCOO]-	564.047301	195.2
[M+CH3COO]-	578.062951	240.0
[M+Na-2H]-	540.023766	182.6
[M]+	519.04855142	179.9
[M]-	519.04964858	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.