CID 817910

3-amino-5-bromo-1h-indazole

Structural Information

Molecular Formula
C7H6BrN3
SMILES
C1=CC2=C(C=C1Br)C(=NN2)N
InChI
InChI=1S/C7H6BrN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11)
InChIKey
OMPYFDJVSAMSMA-UHFFFAOYSA-N
Compound name
5-bromo-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

349
Patents

210.9745 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 134.2
[M+Na]+ 233.96372 148.4
[M-H]- 209.96722 138.3
[M+NH4]+ 229.00832 156.1
[M+K]+ 249.93766 136.0
[M+H-H2O]+ 193.97176 133.8
[M+HCOO]- 255.97270 155.6
[M+CH3COO]- 269.98835 149.8
[M+Na-2H]- 231.94917 143.5
[M]+ 210.97395 151.4
[M]- 210.97505 151.5
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