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: 963
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]+	250.169236	167.0
[M+Na]+	272.151178	171.5
[M-H]-	248.154684	165.4
[M+NH4]+	267.195783	184.8
[M+K]+	288.125118	165.3
[M+H-H2O]+	232.159220	161.6
[M+HCOO]-	294.160161	193.6
[M+CH3COO]-	308.175811	191.4
[M+Na-2H]-	270.136626	168.4
[M]+	249.16141142	174.0
[M]-	249.16250858	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe