CID 99411

Di-n-octylphosphinic acid

Structural Information

Molecular Formula

C₁₆H₃₅O₂P

SMILES

CCCCCCCCP(=O)(CCCCCCCC)O

InChI

InChI=1S/C16H35O2P/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)

InChIKey

YTMRJBAHYSIRMZ-UHFFFAOYSA-N

Compound name

dioctylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1531
Patents: 290.23746 Da
Monoisotopic Mass: 5.7
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]+	291.244736	184.2
[M+Na]+	313.226678	187.1
[M-H]-	289.230184	180.2
[M+NH4]+	308.271283	200.0
[M+K]+	329.200618	183.8
[M+H-H2O]+	273.234720	176.1
[M+HCOO]-	335.235661	207.3
[M+CH3COO]-	349.251311	205.2
[M+Na-2H]-	311.212126	182.3
[M]+	290.23691142	190.8
[M]-	290.23800858	190.8

Literature stripe

literature stripe

Patent stripe

patents stripe