CID 117455

Dimethyl octadecylphosphonate

Structural Information

Molecular Formula

C₂₀H₄₃O₃P

SMILES

CCCCCCCCCCCCCCCCCCP(=O)(OC)OC

InChI

InChI=1S/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3

InChIKey

FPYLHOQPWCQAIJ-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphoryloctadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 350
Patents: 362.29498 Da
Monoisotopic Mass: 8.3
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]+	363.30226	196.7
[M+Na]+	385.28420	202.9
[M+NH4]+	380.32880	204.5
[M+K]+	401.25814	195.4
[M-H]-	361.28770	193.8
[M+Na-2H]-	383.26965	195.7
[M]+	362.29443	196.4
[M]-	362.29553	196.4

Literature stripe

literature stripe

Patent stripe

patents stripe