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: 363
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	204.4
[M+Na]+	385.28420	206.1
[M-H]-	361.28770	201.0
[M+NH4]+	380.32880	200.0
[M+K]+	401.25814	203.1
[M+H-H2O]+	345.29224	195.0
[M+HCOO]-	407.29318	217.0
[M+CH3COO]-	421.30883	221.8
[M+Na-2H]-	383.26965	201.1
[M]+	362.29443	216.0
[M]-	362.29553	216.0

Literature stripe

literature stripe

Patent stripe

patents stripe