CID 24728068

4-bromo-6-nitro-1h-indazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

240.94868 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.955956 140.0
[M+Na]+ 263.937898 153.3
[M-H]- 239.941404 144.6
[M+NH4]+ 258.982503 160.3
[M+K]+ 279.911838 138.1
[M+H-H2O]+ 223.945940 143.7
[M+HCOO]- 285.946881 162.0
[M+CH3COO]- 299.962531 179.5
[M+Na-2H]- 261.923346 151.2
[M]+ 240.94813142 158.1
[M]- 240.94922858 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