CID 53412827

4-bromo-5-nitro-1h-indazole

Structural Information

Molecular Formula

C₇H₄BrN₃O₂

SMILES

C1=CC(=C(C2=C1NN=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C7H4BrN3O2/c8-7-4-3-9-10-5(4)1-2-6(7)11(12)13/h1-3H,(H,9,10)

InChIKey

BHTUCPXIMAPXJQ-UHFFFAOYSA-N

Compound name

4-bromo-5-nitro-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 240.94868 Da
Monoisotopic Mass: 2.1
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]+	241.95596	146.0
[M+Na]+	263.93790	150.2
[M+NH4]+	258.98250	150.3
[M+K]+	279.91184	154.1
[M-H]-	239.94140	146.4
[M+Na-2H]-	261.92335	148.5
[M]+	240.94813	145.3
[M]-	240.94923	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe