CID 209698

Diethyl octyl phosphate

Structural Information

Molecular Formula

C₁₂H₂₇O₄P

SMILES

CCCCCCCCOP(=O)(OCC)OCC

InChI

InChI=1S/C12H27O4P/c1-4-7-8-9-10-11-12-16-17(13,14-5-2)15-6-3/h4-12H2,1-3H3

InChIKey

AHCSHBOAPHEPDO-UHFFFAOYSA-N

Compound name

diethyl octyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 266.1647 Da
Monoisotopic Mass: 3.7
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]+	267.17198	169.4
[M+Na]+	289.15392	174.3
[M-H]-	265.15742	167.5
[M+NH4]+	284.19852	186.8
[M+K]+	305.12786	173.9
[M+H-H2O]+	249.16196	161.4
[M+HCOO]-	311.16290	195.9
[M+CH3COO]-	325.17855	199.8
[M+Na-2H]-	287.13937	170.6
[M]+	266.16415	179.4
[M]-	266.16525	179.4

Literature stripe

literature stripe

Patent stripe

patents stripe