CID 82742

Octyl phenyl hydrogen phosphate

Structural Information

Molecular Formula

C₁₄H₂₃O₄P

SMILES

CCCCCCCCOP(=O)(O)OC1=CC=CC=C1

InChI

InChI=1S/C14H23O4P/c1-2-3-4-5-6-10-13-17-19(15,16)18-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,15,16)

InChIKey

SDWUQIDETLBAIU-UHFFFAOYSA-N

Compound name

octyl phenyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 286.1334 Da
Monoisotopic Mass: 4.2
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]+	287.14068	171.4
[M+Na]+	309.12262	176.1
[M-H]-	285.12612	171.4
[M+NH4]+	304.16722	186.8
[M+K]+	325.09656	173.8
[M+H-H2O]+	269.13066	162.3
[M+HCOO]-	331.13160	197.3
[M+CH3COO]-	345.14725	198.5
[M+Na-2H]-	307.10807	173.3
[M]+	286.13285	177.1
[M]-	286.13395	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe