CID 6327918

Butyl hydrogen phosphonate

Structural Information

Molecular Formula

C₄H₁₀O₃P

SMILES

CCCCO[P+](=O)O

InChI

InChI=1S/C4H9O3P/c1-2-3-4-7-8(5)6/h2-4H2,1H3/p+1

InChIKey

CERDIVAFXRCORQ-UHFFFAOYSA-O

Compound name

butoxy-hydroxy-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1027
Patents: 137.03676 Da
Monoisotopic Mass: 0.9
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]+	138.044036	128.7
[M+Na]+	160.025978	136.1
[M-H]-	136.029484	127.1
[M+NH4]+	155.070583	150.2
[M+K]+	175.999918	131.1
[M+H-H2O]+	120.034020	125.2
[M+HCOO]-	182.034961	156.5
[M+CH3COO]-	196.050611	164.3
[M+Na-2H]-	158.011426	134.0
[M]+	137.03621142	130.8
[M]-	137.03730858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe