CID 53412827

4-bromo-5-nitro-1h-indazole

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=CC(=C(C2=C1NN=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H4BrN3O2/c8-7-4-3-9-10-5(4)1-2-6(7)11(12)13/h1-3H,(H,9,10)
InChIKey
BHTUCPXIMAPXJQ-UHFFFAOYSA-N
Compound name
4-bromo-5-nitro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

240.94868 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.95596 140.0
[M+Na]+ 263.93790 153.3
[M-H]- 239.94140 144.6
[M+NH4]+ 258.98250 160.3
[M+K]+ 279.91184 138.1
[M+H-H2O]+ 223.94594 143.7
[M+HCOO]- 285.94688 162.0
[M+CH3COO]- 299.96253 179.5
[M+Na-2H]- 261.92335 151.2
[M]+ 240.94813 158.1
[M]- 240.94923 158.1
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

patents stripe