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	152.3
[M+Na]+	233.11895	157.1
[M-H]-	209.12245	149.5
[M+NH4]+	228.16355	171.1
[M+K]+	249.09289	155.8
[M+H-H2O]+	193.12699	143.5
[M+HCOO]-	255.12793	180.2
[M+CH3COO]-	269.14358	194.2
[M+Na-2H]-	231.10440	154.8
[M]+	210.12918	153.3
[M]-	210.13028	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.