CID 135456836

5-hydroxybenzofurazan

Structural Information

Molecular Formula

C₆H₄N₂O₂

SMILES

C1=CC2=NON=C2C=C1O

InChI

InChI=1S/C6H4N2O2/c9-4-1-2-5-6(3-4)8-10-7-5/h1-3,9H

InChIKey

YTXFOSVCYYHADT-UHFFFAOYSA-N

Compound name

2,1,3-benzoxadiazol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 586
Patents: 136.02728 Da
Monoisotopic Mass: 0.8
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	119.9
[M+Na]+	159.01650	131.7
[M-H]-	135.02000	122.2
[M+NH4]+	154.06110	140.2
[M+K]+	174.99044	130.5
[M+H-H2O]+	119.02454	113.7
[M+HCOO]-	181.02548	143.0
[M+CH3COO]-	195.04113	135.2
[M+Na-2H]-	157.00195	130.9
[M]+	136.02673	122.8
[M]-	136.02783	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe