CID 44150928

(2-ethylhexyl) hydrogen octylphosphonate

Structural Information

Molecular Formula

C₁₆H₃₅O₃P

SMILES

CCCCCCCCP(=O)(O)OCC(CC)CCCC

InChI

InChI=1S/C16H35O3P/c1-4-7-9-10-11-12-14-20(17,18)19-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3,(H,17,18)

InChIKey

KYYFFXSFMAVEDS-UHFFFAOYSA-N

Compound name

2-ethylhexoxy(octyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 306.2324 Da
Monoisotopic Mass: 5.5
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]+	307.239676	187.0
[M+Na]+	329.221618	189.7
[M-H]-	305.225124	183.1
[M+NH4]+	324.266223	202.1
[M+K]+	345.195558	187.3
[M+H-H2O]+	289.229660	178.8
[M+HCOO]-	351.230601	209.5
[M+CH3COO]-	365.246251	207.9
[M+Na-2H]-	327.207066	184.1
[M]+	306.23185142	194.4
[M]-	306.23294858	194.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe