CID 11701670

Phenoxy(pyrrolidin-2-yl)phosphinic acid

Structural Information

Molecular Formula

C₁₀H₁₄NO₃P

SMILES

C1CC(NC1)P(=O)(O)OC2=CC=CC=C2

InChI

InChI=1S/C10H14NO3P/c12-15(13,10-7-4-8-11-10)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,12,13)

InChIKey

ZJSSCIORWSJOFW-UHFFFAOYSA-N

Compound name

phenoxy(pyrrolidin-2-yl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 227.07114 Da
Monoisotopic Mass: -1.3
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]+	228.078416	150.6
[M+Na]+	250.060358	155.4
[M-H]-	226.063864	151.5
[M+NH4]+	245.104963	167.5
[M+K]+	266.034298	152.8
[M+H-H2O]+	210.068400	141.6
[M+HCOO]-	272.069341	174.0
[M+CH3COO]-	286.084991	180.7
[M+Na-2H]-	248.045806	152.3
[M]+	227.07059142	147.0
[M]-	227.07168858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe