CID 70025

Dicyclohexylphosphinic acid

Structural Information

Molecular Formula

C₁₂H₂₃O₂P

SMILES

C1CCC(CC1)P(=O)(C2CCCCC2)O

InChI

InChI=1S/C12H23O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,14)

InChIKey

NPEWVJINTXPNRF-UHFFFAOYSA-N

Compound name

dicyclohexylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 298
Patents: 230.14357 Da
Monoisotopic Mass: 2.5
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]+	231.15085	156.6
[M+Na]+	253.13279	157.5
[M-H]-	229.13629	158.5
[M+NH4]+	248.17739	173.4
[M+K]+	269.10673	155.2
[M+H-H2O]+	213.14083	147.9
[M+HCOO]-	275.14177	175.5
[M+CH3COO]-	289.15742	186.2
[M+Na-2H]-	251.11824	156.0
[M]+	230.14302	147.5
[M]-	230.14412	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe