CID 19089708

Schembl1100958

Structural Information

Molecular Formula

C₁₄H₂₃O₄P

SMILES

CCCCCCCCC1=CC=CC=C1OP(=O)(O)O

InChI

InChI=1S/C14H23O4P/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17)

InChIKey

RJYDMIMSSMCNIG-UHFFFAOYSA-N

Compound name

(2-octylphenyl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 371
Patents: 286.1334 Da
Monoisotopic Mass: 4.3
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]+	287.140676	171.6
[M+Na]+	309.122618	176.7
[M-H]-	285.126124	170.6
[M+NH4]+	304.167223	186.6
[M+K]+	325.096558	173.7
[M+H-H2O]+	269.130660	163.0
[M+HCOO]-	331.131601	195.9
[M+CH3COO]-	345.147251	197.1
[M+Na-2H]-	307.108066	172.4
[M]+	286.13285142	175.8
[M]-	286.13394858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe