CID 13302447

4,4'-diazidodiphenyl ether

Structural Information

Molecular Formula

C₁₂H₈N₆O

SMILES

C1=CC(=CC=C1N=[N+]=[N-])OC2=CC=C(C=C2)N=[N+]=[N-]

InChI

InChI=1S/C12H8N6O/c13-17-15-9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)16-18-14/h1-8H

InChIKey

BVKCTCWYHGXELK-UHFFFAOYSA-N

Compound name

1-azido-4-(4-azidophenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 252.07596 Da
Monoisotopic Mass: 5.3
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]+	253.08324	151.9
[M+Na]+	275.06518	157.1
[M-H]-	251.06868	163.1
[M+NH4]+	270.10978	167.7
[M+K]+	291.03912	145.9
[M+H-H2O]+	235.07322	150.7
[M+HCOO]-	297.07416	188.5
[M+CH3COO]-	311.08981	201.7
[M+Na-2H]-	273.05063	166.0
[M]+	252.07541	148.2
[M]-	252.07651	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe