CID 91809596

5-bromo-1h-indazole-3-carboxamide

Structural Information

Molecular Formula

C₈H₆BrN₃O

SMILES

C1=CC2=C(C=C1Br)C(=NN2)C(=O)N

InChI

InChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(8(10)13)12-11-6/h1-3H,(H2,10,13)(H,11,12)

InChIKey

BLPIUDHMDGSMME-UHFFFAOYSA-N

Compound name

5-bromo-1H-indazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 238.96942 Da
Monoisotopic Mass: 1.5
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	145.0
[M+Na]+	261.95864	147.8
[M+NH4]+	257.00324	148.9
[M+K]+	277.93258	150.0
[M-H]-	237.96214	144.3
[M+Na-2H]-	259.94409	147.2
[M]+	238.96887	143.8
[M]-	238.96997	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe