CID 761929

5-bromo-1h-indazole

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C1=CC2=C(C=C1Br)C=NN2
InChI
InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
STVHMYNPQCLUNJ-UHFFFAOYSA-N
Compound name
5-bromo-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2239
Patents

195.96361 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.970886 130.4
[M+Na]+ 218.952828 144.8
[M-H]- 194.956334 134.7
[M+NH4]+ 213.997433 153.3
[M+K]+ 234.926768 133.2
[M+H-H2O]+ 178.960870 130.7
[M+HCOO]- 240.961811 151.5
[M+CH3COO]- 254.977461 146.6
[M+Na-2H]- 216.938276 141.0
[M]+ 195.96306142 149.0
[M]- 195.96415858 149.0
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