CID 68534

Butafox

Structural Information

Molecular Formula

C₈H₂₀FN₂OP

SMILES

CCCCNP(=O)(NCCCC)F

InChI

InChI=1S/C8H20FN2OP/c1-3-5-7-10-13(9,12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)

InChIKey

IACTUOFNNKVEPQ-UHFFFAOYSA-N

Compound name

N-[butylamino(fluoro)phosphoryl]butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.12973 Da
Monoisotopic Mass: 1.9
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]+	211.13701	149.1
[M+Na]+	233.11895	155.2
[M+NH4]+	228.16355	154.6
[M+K]+	249.09289	150.3
[M-H]-	209.12245	146.6
[M+Na-2H]-	231.10440	150.6
[M]+	210.12918	148.7
[M]-	210.13028	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.