CID 10290873

4-benzofurazancarboxaldehyde

Structural Information

Molecular Formula

C₇H₄N₂O₂

SMILES

C1=CC2=NON=C2C(=C1)C=O

InChI

InChI=1S/C7H4N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H

InChIKey

YBBRQAXNTWMMFZ-UHFFFAOYSA-N

Compound name

2,1,3-benzoxadiazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 148.02728 Da
Monoisotopic Mass: 0.6
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]+	149.03456	124.4
[M+Na]+	171.01650	139.1
[M+NH4]+	166.06110	132.9
[M+K]+	186.99044	135.1
[M-H]-	147.02000	126.7
[M+Na-2H]-	169.00195	131.5
[M]+	148.02673	127.1
[M]-	148.02783	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe