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]+ 262.992676 147.4
[M+Na]+ 284.974618 162.0
[M-H]- 260.978124 151.7
[M+NH4]+ 280.019223 166.2
[M+K]+ 300.948558 149.2
[M+H-H2O]+ 244.982660 146.5
[M+HCOO]- 306.983601 166.0
[M+CH3COO]- 320.999251 161.8
[M+Na-2H]- 282.960066 154.5
[M]+ 261.98485142 165.1
[M]- 261.98594858 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.