CID 45480301

5-bromo-3-cyclopropyl-1h-indazole

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1CC1C2=C3C=C(C=CC3=NN2)Br
InChI
InChI=1S/C10H9BrN2/c11-7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h3-6H,1-2H2,(H,12,13)
InChIKey
JRSSYANVUSLZAY-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclopropyl-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

235.9949 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.002176 147.0
[M+Na]+ 258.984118 162.7
[M-H]- 234.987624 154.7
[M+NH4]+ 254.028723 163.9
[M+K]+ 274.958058 149.4
[M+H-H2O]+ 218.992160 146.4
[M+HCOO]- 280.993101 167.5
[M+CH3COO]- 295.008751 161.9
[M+Na-2H]- 256.969566 154.9
[M]+ 235.99435142 166.8
[M]- 235.99544858 166.8
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