CID 6328376

Dihexoxy(oxo)phosphanium

Structural Information

Molecular Formula

C₁₂H₂₆O₃P

SMILES

CCCCCCO[P+](=O)OCCCCCC

InChI

InChI=1S/C12H26O3P/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2/h3-12H2,1-2H3/q+1

InChIKey

SSTHNOXIGJRLAF-UHFFFAOYSA-N

Compound name

dihexoxy(oxo)phosphanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 917
Patents: 249.16196 Da
Monoisotopic Mass: 4.6
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]+	250.16924	167.0
[M+Na]+	272.15118	171.5
[M-H]-	248.15468	165.4
[M+NH4]+	267.19578	184.8
[M+K]+	288.12512	165.3
[M+H-H2O]+	232.15922	161.6
[M+HCOO]-	294.16016	193.6
[M+CH3COO]-	308.17581	191.4
[M+Na-2H]-	270.13663	168.4
[M]+	249.16141	174.0
[M]-	249.16251	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe