CID 76563

Dioctyl phosphate

Structural Information

Molecular Formula

C₁₆H₃₅O₄P

SMILES

CCCCCCCCOP(=O)(O)OCCCCCCCC

InChI

InChI=1S/C16H35O4P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)

InChIKey

HTDKEJXHILZNPP-UHFFFAOYSA-N

Compound name

dioctyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 17733
Patents: 322.2273 Da
Monoisotopic Mass: 5.8
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]+	323.23458	188.9
[M+Na]+	345.21652	191.7
[M-H]-	321.22002	184.8
[M+NH4]+	340.26112	203.3
[M+K]+	361.19046	189.4
[M+H-H2O]+	305.22456	180.3
[M+HCOO]-	367.22550	212.6
[M+CH3COO]-	381.24115	209.1
[M+Na-2H]-	343.20197	187.5
[M]+	322.22675	198.4
[M]-	322.22785	198.4

Literature stripe

literature stripe

Patent stripe

patents stripe