CID 195023

Benzhydrylphosphonic acid

Structural Information

Molecular Formula

C₁₃H₁₃O₃P

SMILES

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

InChI

InChI=1S/C13H13O3P/c14-17(15,16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,14,15,16)

InChIKey

JDRCQIRZJMJGMW-UHFFFAOYSA-N

Compound name

benzhydrylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 633
Patents: 248.06023 Da
Monoisotopic Mass: 1.6
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]+	249.067506	156.7
[M+Na]+	271.049448	162.3
[M-H]-	247.052954	159.3
[M+NH4]+	266.094053	172.3
[M+K]+	287.023388	158.9
[M+H-H2O]+	231.057490	147.7
[M+HCOO]-	293.058431	181.5
[M+CH3COO]-	307.074081	187.4
[M+Na-2H]-	269.034896	159.6
[M]+	248.05968142	155.1
[M]-	248.06077858	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe