CID 13262442

Octyl hydrogen phosphonate

Structural Information

Molecular Formula

C₈H₁₈O₃P

SMILES

CCCCCCCCO[P+](=O)O

InChI

InChI=1S/C8H17O3P/c1-2-3-4-5-6-7-8-11-12(9)10/h2-8H2,1H3/p+1

InChIKey

YFALXUFMKRZHTO-UHFFFAOYSA-O

Compound name

hydroxy-octoxy-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 561
Patents: 193.09935 Da
Monoisotopic Mass: 3.1
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	148.3
[M+Na]+	216.088568	154.1
[M-H]-	192.092074	146.0
[M+NH4]+	211.133173	167.6
[M+K]+	232.062508	148.0
[M+H-H2O]+	176.096610	144.0
[M+HCOO]-	238.097551	174.8
[M+CH3COO]-	252.113201	176.5
[M+Na-2H]-	214.074016	151.4
[M]+	193.09880142	151.9
[M]-	193.09989858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe