CID 22558725

5-bromo-1-methyl-1h-indazole

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CN1C2=C(C=C(C=C2)Br)C=N1
InChI
InChI=1S/C8H7BrN2/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,1H3
InChIKey
RMCHMXPTUMFFBZ-UHFFFAOYSA-N
Compound name
5-bromo-1-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1344
Patents

209.97926 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 137.9
[M+Na]+ 232.96848 143.3
[M+NH4]+ 228.01308 143.6
[M+K]+ 248.94242 143.7
[M-H]- 208.97198 138.5
[M+Na-2H]- 230.95393 142.2
[M]+ 209.97871 137.7
[M]- 209.97981 137.7
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