CID 12502261

71856-56-9

Structural Information

Molecular Formula

C₁₀H₇BrN₄

SMILES

C1=CC(=CC(=C1)Br)N2C(=C(C=N2)C#N)N

InChI

InChI=1S/C10H7BrN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2

InChIKey

GTANIIIAZUVWIW-UHFFFAOYSA-N

Compound name

5-amino-1-(3-bromophenyl)pyrazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 261.9854 Da
Monoisotopic Mass: 2.5
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]+	262.99268	155.4
[M+Na]+	284.97462	159.4
[M+NH4]+	280.01922	157.0
[M+K]+	300.94856	157.0
[M-H]-	260.97812	150.6
[M+Na-2H]-	282.96007	157.3
[M]+	261.98485	152.8
[M]-	261.98595	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe