CID 9718

Benzenediazonium

Structural Information

Molecular Formula

C₆H₅N₂

SMILES

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

InChI

InChI=1S/C6H5N2/c7-8-6-4-2-1-3-5-6/h1-5H/q+1

InChIKey

CIZVQWNPBGYCGK-UHFFFAOYSA-N

Compound name

benzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 56
References: 7699
Patents: 105.04527 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]+	106.05255	120.9
[M+Na]+	128.03449	131.1
[M-H]-	104.03799	125.8
[M+NH4]+	123.07909	141.6
[M+K]+	144.00843	124.7
[M+H-H2O]+	88.042530	111.3
[M+HCOO]-	150.04347	144.5
[M+CH3COO]-	164.05912	178.6
[M+Na-2H]-	126.01994	132.3
[M]+	105.04472	114.7
[M]-	105.04582	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe