CID 57925957

945460-44-6

Structural Information

Molecular Formula

C₁₀H₁₄NOP

SMILES

C1CP(=O)(CCN1)C2=CC=CC=C2

InChI

InChI=1S/C10H14NOP/c12-13(8-6-11-7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2

InChIKey

GBGBYLHZZQIYJD-UHFFFAOYSA-N

Compound name

4-phenyl-1,4lambda5-azaphosphinane 4-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 195.0813 Da
Monoisotopic Mass: 0.3
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]+	196.08858	144.0
[M+Na]+	218.07052	149.3
[M-H]-	194.07402	146.1
[M+NH4]+	213.11512	163.1
[M+K]+	234.04446	146.1
[M+H-H2O]+	178.07856	134.6
[M+HCOO]-	240.07950	168.0
[M+CH3COO]-	254.09515	178.8
[M+Na-2H]-	216.05597	147.3
[M]+	195.08075	138.2
[M]-	195.08185	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe