CID 68075

Benzofuroxan

Structural Information

Molecular Formula

C₆H₄N₂O₂

SMILES

C1=CC2=NO[N+](=C2C=C1)[O-]

InChI

InChI=1S/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H

InChIKey

OKEAMBAZBICIFP-UHFFFAOYSA-N

Compound name

3-oxido-2,1,3-benzoxadiazol-3-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 63
References: 1623
Patents: 136.02728 Da
Monoisotopic Mass: 1.4
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]+	137.03456	119.0
[M+Na]+	159.01650	135.3
[M+NH4]+	154.06110	128.3
[M+K]+	174.99044	133.3
[M-H]-	135.02000	122.7
[M+Na-2H]-	157.00195	126.4
[M]+	136.02673	122.4
[M]-	136.02783	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe