CID 6335888

Diisooctyl phosphonate

Structural Information

Molecular Formula

C₁₆H₃₄O₃P

SMILES

CC(C)CCCCCO[P+](=O)OCCCCCC(C)C

InChI

InChI=1S/C16H34O3P/c1-15(2)11-7-5-9-13-18-20(17)19-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3/q+1

InChIKey

DBLFQTDPPZZDGX-UHFFFAOYSA-N

Compound name

bis(6-methylheptoxy)-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 88
Patents: 305.22455 Da
Monoisotopic Mass: 6.2
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]+	306.23183	186.7
[M+Na]+	328.21377	189.1
[M-H]-	304.21727	184.5
[M+NH4]+	323.25837	191.6
[M+K]+	344.18771	182.8
[M+H-H2O]+	288.22181	180.8
[M+HCOO]-	350.22275	202.6
[M+CH3COO]-	364.23840	204.7
[M+Na-2H]-	326.19922	183.5
[M]+	305.22400	193.8
[M]-	305.22510	193.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe