CID 69319

Azidobenzene

Structural Information

Molecular Formula

C₆H₅N₃

SMILES

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

InChI

InChI=1S/C6H5N3/c7-9-8-6-4-2-1-3-5-6/h1-5H

InChIKey

CTRLRINCMYICJO-UHFFFAOYSA-N

Compound name

azidobenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 79
References: 9217
Patents: 119.04835 Da
Monoisotopic Mass: 2.6
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]+	120.055626	117.9
[M+Na]+	142.037568	125.2
[M-H]-	118.041074	124.4
[M+NH4]+	137.082173	140.3
[M+K]+	158.011508	120.1
[M+H-H2O]+	102.045610	116.2
[M+HCOO]-	164.046551	150.2
[M+CH3COO]-	178.062201	172.5
[M+Na-2H]-	140.023016	131.0
[M]+	119.04780142	114.9
[M]-	119.04889858	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe