CID 150927

1-azido-3-nitrobenzene

Structural Information

Molecular Formula

C₆H₄N₄O₂

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C6H4N4O2/c7-9-8-5-2-1-3-6(4-5)10(11)12/h1-4H

InChIKey

AMLBZFBNQYJIRI-UHFFFAOYSA-N

Compound name

1-azido-3-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 204
Patents: 164.03343 Da
Monoisotopic Mass: 3.0
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]+	165.04071	133.6
[M+Na]+	187.02265	147.3
[M+NH4]+	182.06725	142.4
[M+K]+	202.99659	144.9
[M-H]-	163.02615	140.4
[M+Na-2H]-	185.00810	141.6
[M]+	164.03288	137.2
[M]-	164.03398	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe