CID 135742429

5-bromo-3-(1h-imidazol-2-yl)-1h-indazole

Structural Information

Molecular Formula
C10H7BrN4
SMILES
C1=CC2=C(C=C1Br)C(=NN2)C3=NC=CN3
InChI
InChI=1S/C10H7BrN4/c11-6-1-2-8-7(5-6)9(15-14-8)10-12-3-4-13-10/h1-5H,(H,12,13)(H,14,15)
InChIKey
ZPHRGJQCDGNHOP-UHFFFAOYSA-N
Compound name
5-bromo-3-(1H-imidazol-2-yl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9854 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99268 147.4
[M+Na]+ 284.97462 162.0
[M-H]- 260.97812 151.7
[M+NH4]+ 280.01922 166.2
[M+K]+ 300.94856 149.2
[M+H-H2O]+ 244.98266 146.5
[M+HCOO]- 306.98360 166.0
[M+CH3COO]- 320.99925 161.8
[M+Na-2H]- 282.96007 154.5
[M]+ 261.98485 165.1
[M]- 261.98595 165.1
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

No patent data available for this compound.