CID 24728063

6-bromo-1h-indazol-4-amine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
C1=C(C=C2C(=C1N)C=NN2)Br
InChI
InChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11)
InChIKey
JORDVWJEXMDSBI-UHFFFAOYSA-N
Compound name
6-bromo-1H-indazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

210.9745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.981776 134.2
[M+Na]+ 233.963718 148.4
[M-H]- 209.967224 138.3
[M+NH4]+ 229.008323 156.1
[M+K]+ 249.937658 136.0
[M+H-H2O]+ 193.971760 133.8
[M+HCOO]- 255.972701 155.6
[M+CH3COO]- 269.988351 149.8
[M+Na-2H]- 231.949166 143.5
[M]+ 210.97395142 151.5
[M]- 210.97504858 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