CID 13629073

Diisooctylphosphinic acid

Structural Information

Molecular Formula

C₁₆H₃₅O₂P

SMILES

CC(C)CCCCCP(=O)(CCCCCC(C)C)O

InChI

InChI=1S/C16H35O2P/c1-15(2)11-7-5-9-13-19(17,18)14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,17,18)

InChIKey

GBNVBFGHGMAMDH-UHFFFAOYSA-N

Compound name

bis(6-methylheptyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 290.23746 Da
Monoisotopic Mass: 5.1
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	184.4
[M+Na]+	313.226678	187.0
[M-H]-	289.230184	180.6
[M+NH4]+	308.271283	200.2
[M+K]+	329.200618	184.6
[M+H-H2O]+	273.234720	176.6
[M+HCOO]-	335.235661	205.6
[M+CH3COO]-	349.251311	206.7
[M+Na-2H]-	311.212126	180.1
[M]+	290.23691142	189.7
[M]-	290.23800858	189.7

Literature stripe

literature stripe

Patent stripe

patents stripe