CID 781235

Ethyl diphenylphosphinate

Structural Information

Molecular Formula

C₁₄H₁₅O₂P

SMILES

CCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H15O2P/c1-2-16-17(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3

InChIKey

QRJASDLTCXIYRK-UHFFFAOYSA-N

Compound name

[ethoxy(phenyl)phosphoryl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 403
Patents: 246.08096 Da
Monoisotopic Mass: 2.9
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]+	247.08824	157.3
[M+Na]+	269.07018	163.9
[M-H]-	245.07368	162.5
[M+NH4]+	264.11478	174.6
[M+K]+	285.04412	160.8
[M+H-H2O]+	229.07822	147.7
[M+HCOO]-	291.07916	185.7
[M+CH3COO]-	305.09481	192.7
[M+Na-2H]-	267.05563	161.7
[M]+	246.08041	159.1
[M]-	246.08151	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe