CID 11287340

2-carboxyethyl(phenyl)phosphinic acid

Structural Information

Molecular Formula

C₉H₁₁O₄P

SMILES

C1=CC=C(C=C1)P(=O)(CCC(=O)O)O

InChI

InChI=1S/C9H11O4P/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H,12,13)

InChIKey

MORLYCDUFHDZKO-UHFFFAOYSA-N

Compound name

3-[hydroxy(phenyl)phosphoryl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1607
Patents: 214.03949 Da
Monoisotopic Mass: -0.1
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]+	215.04677	146.9
[M+Na]+	237.02871	153.3
[M-H]-	213.03221	146.6
[M+NH4]+	232.07331	164.3
[M+K]+	253.00265	151.3
[M+H-H2O]+	197.03675	139.4
[M+HCOO]-	259.03769	172.2
[M+CH3COO]-	273.05334	180.6
[M+Na-2H]-	235.01416	149.8
[M]+	214.03894	147.6
[M]-	214.04004	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe