CID 136601

Benzene, (diazomethyl)-

Structural Information

Molecular Formula

C₇H₆N₂

SMILES

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

InChI

InChI=1S/C7H6N2/c8-9-6-7-4-2-1-3-5-7/h1-6H

InChIKey

CRGRWBQSZSQVIE-UHFFFAOYSA-N

Compound name

diazomethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 2857
Patents: 118.0531 Da
Monoisotopic Mass: 1.7
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]+	119.06038	119.7
[M+Na]+	141.04232	127.2
[M-H]-	117.04582	124.9
[M+NH4]+	136.08692	141.9
[M+K]+	157.01626	121.0
[M+H-H2O]+	101.05036	118.7
[M+HCOO]-	163.05130	149.4
[M+CH3COO]-	177.06695	168.0
[M+Na-2H]-	139.02777	131.5
[M]+	118.05255	116.1
[M]-	118.05365	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe