CID 17105

2438-71-3

Structural Information

Molecular Formula

C₈H₆BrN₃O

SMILES

C1=CC2=C(C=C1Br)C(=C(N2)O)N=N

InChI

InChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(12-10)8(13)11-6/h1-3,10-11,13H

InChIKey

WIQKEHOIDIEVPQ-UHFFFAOYSA-N

Compound name

5-bromo-3-diazenyl-1H-indol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 238.96942 Da
Monoisotopic Mass: 3.4
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]+	239.97670	145.5
[M+Na]+	261.95864	148.2
[M+NH4]+	257.00324	149.9
[M+K]+	277.93258	149.8
[M-H]-	237.96214	146.1
[M+Na-2H]-	259.94409	148.2
[M]+	238.96887	144.6
[M]-	238.96997	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe