CID 375228

4-azidocoumarin

Structural Information

Molecular Formula

C₉H₅N₃O₂

SMILES

C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]

InChI

InChI=1S/C9H5N3O2/c10-12-11-7-5-9(13)14-8-4-2-1-3-6(7)8/h1-5H

InChIKey

IUICMSYHSPWQPN-UHFFFAOYSA-N

Compound name

4-azidochromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 187.03818 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]+	188.04546	132.3
[M+Na]+	210.02740	141.6
[M-H]-	186.03090	140.9
[M+NH4]+	205.07200	151.9
[M+K]+	226.00134	136.0
[M+H-H2O]+	170.03544	129.8
[M+HCOO]-	232.03638	163.2
[M+CH3COO]-	246.05203	184.3
[M+Na-2H]-	208.01285	146.8
[M]+	187.03763	132.6
[M]-	187.03873	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe