CID 23155326

4-bromo-2,3-dihydro-1h-indazol-3-one

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1=CC2=C(C(=C1)Br)C(=O)NN2
InChI
InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)7(11)10-9-5/h1-3H,(H2,9,10,11)
InChIKey
AOSWBTIWUXRHRT-UHFFFAOYSA-N
Compound name
4-bromo-1,2-dihydroindazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

211.95853 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.965806 133.1
[M+Na]+ 234.947748 148.0
[M-H]- 210.951254 136.4
[M+NH4]+ 229.992353 154.9
[M+K]+ 250.921688 135.3
[M+H-H2O]+ 194.955790 133.6
[M+HCOO]- 256.956731 153.0
[M+CH3COO]- 270.972381 148.8
[M+Na-2H]- 232.933196 142.5
[M]+ 211.95798142 150.9
[M]- 211.95907858 150.9
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