CID 154926022

Ns00124719

Structural Information

Molecular Formula

C₁₀H₇BrN₂O₂

SMILES

C1=CC(=C2C(=N)C=C(C(=O)C2=C1N)Br)O

InChI

InChI=1S/C10H7BrN2O2/c11-4-3-6(13)8-7(14)2-1-5(12)9(8)10(4)15/h1-3,13-14H,12H2

InChIKey

AZWHAOXPPDQXHA-UHFFFAOYSA-N

Compound name

8-amino-2-bromo-5-hydroxy-4-iminonaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.9691 Da
Monoisotopic Mass: 2.0
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]+	266.976376	146.9
[M+Na]+	288.958318	159.3
[M-H]-	264.961824	152.9
[M+NH4]+	284.002923	167.0
[M+K]+	304.932258	146.3
[M+H-H2O]+	248.966360	146.1
[M+HCOO]-	310.967301	167.2
[M+CH3COO]-	324.982951	197.1
[M+Na-2H]-	286.943766	153.1
[M]+	265.96855142	162.0
[M]-	265.96964858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.