CID 123414

Diphenylphosphoryl azide

Structural Information

Molecular Formula

C₁₂H₁₀N₃O₃P

SMILES

C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2

InChI

InChI=1S/C12H10N3O3P/c13-14-15-19(16,17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10H

InChIKey

SORGEQQSQGNZFI-UHFFFAOYSA-N

Compound name

[azido(phenoxy)phosphoryl]oxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 30
References: 47032
Patents: 275.046 Da
Monoisotopic Mass: 4.4
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]+	276.05328	155.7
[M+Na]+	298.03522	161.0
[M-H]-	274.03872	163.8
[M+NH4]+	293.07982	171.4
[M+K]+	314.00916	154.8
[M+H-H2O]+	258.04326	149.3
[M+HCOO]-	320.04420	191.5
[M+CH3COO]-	334.05985	198.6
[M+Na-2H]-	296.02067	166.4
[M]+	275.04545	155.9
[M]-	275.04655	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe