CID 91809596

5-bromo-1h-indazole-3-carboxamide

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
C1=CC2=C(C=C1Br)C(=NN2)C(=O)N
InChI
InChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(8(10)13)12-11-6/h1-3H,(H2,10,13)(H,11,12)
InChIKey
BLPIUDHMDGSMME-UHFFFAOYSA-N
Compound name
5-bromo-1H-indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

238.96942 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97670 141.0
[M+Na]+ 261.95864 154.5
[M-H]- 237.96214 145.0
[M+NH4]+ 257.00324 161.6
[M+K]+ 277.93258 142.3
[M+H-H2O]+ 221.96668 140.3
[M+HCOO]- 283.96762 161.4
[M+CH3COO]- 297.98327 155.9
[M+Na-2H]- 259.94409 148.6
[M]+ 238.96887 158.6
[M]- 238.96997 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe