CID 6327349

Dibutyl phosphite

Structural Information

Molecular Formula

C₈H₁₈O₃P

SMILES

CCCCO[P+](=O)OCCCC

InChI

InChI=1S/C8H18O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3/q+1

InChIKey

OSPSWZSRKYCQPF-UHFFFAOYSA-N

Compound name

dibutoxy(oxo)phosphanium

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 10481
Patents: 193.09935 Da
Monoisotopic Mass: 2.5
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]+	194.106626	147.4
[M+Na]+	216.088568	153.6
[M-H]-	192.092074	146.5
[M+NH4]+	211.133173	167.4
[M+K]+	232.062508	148.5
[M+H-H2O]+	176.096610	142.9
[M+HCOO]-	238.097551	175.4
[M+CH3COO]-	252.113201	179.3
[M+Na-2H]-	214.074016	151.1
[M]+	193.09880142	152.9
[M]-	193.09989858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe