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

3
Annotation Hits: 56
References: 8352
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]+	106.052546	120.9
[M+Na]+	128.034488	131.1
[M-H]-	104.037994	125.8
[M+NH4]+	123.079093	141.6
[M+K]+	144.008428	124.7
[M+H-H2O]+	88.042530	111.3
[M+HCOO]-	150.043471	144.5
[M+CH3COO]-	164.059121	178.6
[M+Na-2H]-	126.019936	132.3
[M]+	105.04472142	114.7
[M]-	105.04581858	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe