CID 3709176

2848-01-3

Structural Information

Molecular Formula

C₁₅H₁₅O₂P

SMILES

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

InChI

InChI=1S/C15H15O2P/c16-15(17)11-12-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)

InChIKey

OTSIFUHGOBFOTH-UHFFFAOYSA-N

Compound name

3-diphenylphosphanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 258.08096 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]+	259.08824	162.0
[M+Na]+	281.07018	166.6
[M-H]-	257.07368	165.4
[M+NH4]+	276.11478	177.7
[M+K]+	297.04412	163.0
[M+H-H2O]+	241.07822	152.1
[M+HCOO]-	303.07916	188.0
[M+CH3COO]-	317.09481	194.3
[M+Na-2H]-	279.05563	162.1
[M]+	258.08041	161.5
[M]-	258.08151	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe