CID 11118457

Benzenediazonium, 2-(methoxycarbonyl)-, chloride (1:1)

Structural Information

Molecular Formula

C₈H₇N₂O₂

SMILES

COC(=O)C1=CC=CC=C1[N+]#N

InChI

InChI=1S/C8H7N2O2/c1-12-8(11)6-4-2-3-5-7(6)10-9/h2-5H,1H3/q+1

InChIKey

RIFBCJROYYDUNQ-UHFFFAOYSA-N

Compound name

2-methoxycarbonylbenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 163.05075 Da
Monoisotopic Mass: 2.4
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]+	164.05803	133.0
[M+Na]+	186.03997	146.5
[M+NH4]+	181.08457	138.8
[M+K]+	202.01391	138.5
[M-H]-	162.04347	129.7
[M+Na-2H]-	184.02542	138.6
[M]+	163.05020	133.4
[M]-	163.05130	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe