CID 640614

3-bromo-5-nitro-1h-indazole

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=CC2=NNC(=C2C=C1[N+](=O)[O-])Br
InChI
InChI=1S/C7H4BrN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
InChIKey
SYTGRKBQTUKOAI-UHFFFAOYSA-N
Compound name
3-bromo-5-nitro-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

240.94868 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe