CID 120172

Bis(hydroxyphenylmethyl)phosphinic acid

Structural Information

Molecular Formula

C₁₄H₁₅O₄P

SMILES

C1=CC=C(C=C1)C(O)P(=O)(C(C2=CC=CC=C2)O)O

InChI

InChI=1S/C14H15O4P/c15-13(11-7-3-1-4-8-11)19(17,18)14(16)12-9-5-2-6-10-12/h1-10,13-16H,(H,17,18)

InChIKey

YMIKTLVFXBBWKP-UHFFFAOYSA-N

Compound name

bis[hydroxy(phenyl)methyl]phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 278.0708 Da
Monoisotopic Mass: 0.8
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]+	279.07808	163.0
[M+Na]+	301.06002	173.6
[M+NH4]+	296.10462	169.0
[M+K]+	317.03396	169.7
[M-H]-	277.06352	163.9
[M+Na-2H]-	299.04547	169.2
[M]+	278.07025	164.5
[M]-	278.07135	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe