CID 19354410

3-bromo-1h-indazol-6-amine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
C1=CC2=C(NN=C2C=C1N)Br
InChI
InChI=1S/C7H6BrN3/c8-7-5-2-1-4(9)3-6(5)10-11-7/h1-3H,9H2,(H,10,11)
InChIKey
JEIJITFZLLQUCT-UHFFFAOYSA-N
Compound name
3-bromo-2H-indazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

210.9745 Da
Monoisotopic Mass

1.9
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