CID 136601

Phenyldiazomethane

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: 2802
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	120.5
[M+Na]+	141.04232	135.2
[M+NH4]+	136.08692	130.9
[M+K]+	157.01626	129.1
[M-H]-	117.04582	126.3
[M+Na-2H]-	139.02777	130.2
[M]+	118.05255	124.2
[M]-	118.05365	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe