CID 6328020

Ethyl phenylphosphinate

Structural Information

Molecular Formula

C₈H₁₀O₂P

SMILES

CCO[P+](=O)C1=CC=CC=C1

InChI

InChI=1S/C8H10O2P/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1

InChIKey

YJSXLGKPMXKZJR-UHFFFAOYSA-N

Compound name

ethoxy-oxo-phenylphosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 963
Patents: 169.04184 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]+	170.049116	136.5
[M+Na]+	192.031058	143.8
[M-H]-	168.034564	139.4
[M+NH4]+	187.075663	157.1
[M+K]+	208.004998	137.5
[M+H-H2O]+	152.039100	131.4
[M+HCOO]-	214.040041	165.8
[M+CH3COO]-	228.055691	172.5
[M+Na-2H]-	190.016506	142.3
[M]+	169.04129142	137.8
[M]-	169.04238858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe