CID 165201

4242-21-1

Structural Information

Molecular Formula

C₁₃H₁₁O₃P

SMILES

C1C2=CC=CC=C2OP(=O)(O1)C3=CC=CC=C3

InChI

InChI=1S/C13H11O3P/c14-17(12-7-2-1-3-8-12)15-10-11-6-4-5-9-13(11)16-17/h1-9H,10H2

InChIKey

IVVGLHFVBDTRKX-UHFFFAOYSA-N

Compound name

2-phenyl-4H-1,3,2lambda5-benzodioxaphosphinine 2-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.04459 Da
Monoisotopic Mass: 2.4
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]+	247.05187	153.9
[M+Na]+	269.03381	162.0
[M-H]-	245.03731	161.6
[M+NH4]+	264.07841	171.5
[M+K]+	285.00775	161.5
[M+H-H2O]+	229.04185	144.0
[M+HCOO]-	291.04279	179.4
[M+CH3COO]-	305.05844	190.7
[M+Na-2H]-	267.01926	160.8
[M]+	246.04404	154.8
[M]-	246.04514	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe