CID 12558569

3-bromo-1-methyl-4-nitro-1h-indazole

Structural Information

Molecular Formula
C8H6BrN3O2
SMILES
CN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=N1)Br
InChI
InChI=1S/C8H6BrN3O2/c1-11-5-3-2-4-6(12(13)14)7(5)8(9)10-11/h2-4H,1H3
InChIKey
BZGXALNCZRULPC-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-4-nitroindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.96434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.97162 149.7
[M+Na]+ 277.95356 154.6
[M+NH4]+ 272.99816 154.2
[M+K]+ 293.92750 158.1
[M-H]- 253.95706 150.6
[M+Na-2H]- 275.93901 152.3
[M]+ 254.96379 149.4
[M]- 254.96489 149.4
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

No patent data available for this compound.