CID 219733

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

Structural Information

Molecular Formula
C10H7BrN4
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)Br
InChI
InChI=1S/C10H7BrN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKey
VWTGKVYPKFTDSL-UHFFFAOYSA-N
Compound name
5-amino-1-(4-bromophenyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

261.9854 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe