CID 13783981

62362-49-6

Structural Information

Molecular Formula

C₂₀H₄₃O₅P

SMILES

CCCCCCCCCCCCCCCCCCOCCOP(=O)(O)O

InChI

InChI=1S/C20H43O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-25-26(21,22)23/h2-20H2,1H3,(H2,21,22,23)

InChIKey

JOIFGFCERYSPEC-UHFFFAOYSA-N

Compound name

2-octadecoxyethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 117
Patents: 394.28482 Da
Monoisotopic Mass: 7.1
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]+	395.29210	209.6
[M+Na]+	417.27404	206.4
[M-H]-	393.27754	191.1
[M+NH4]+	412.31864	200.4
[M+K]+	433.24798	206.5
[M+H-H2O]+	377.28208	200.1
[M+HCOO]-	439.28302	217.2
[M+CH3COO]-	453.29867	220.4
[M+Na-2H]-	415.25949	205.8
[M]+	394.28427	201.4
[M]-	394.28537	201.4

Literature stripe

literature stripe

Patent stripe

patents stripe