CID 21336465

6-bromo-3-methyl-1h-indazole

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CC1=C2C=CC(=CC2=NN1)Br
InChI
InChI=1S/C8H7BrN2/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,1H3,(H,10,11)
InChIKey
PUVRYFUBGFMXMW-UHFFFAOYSA-N
Compound name
6-bromo-3-methyl-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

209.97926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 139.0
[M+Na]+ 232.96848 143.8
[M+NH4]+ 228.01308 144.3
[M+K]+ 248.94242 144.4
[M-H]- 208.97198 139.0
[M+Na-2H]- 230.95393 142.7
[M]+ 209.97871 138.5
[M]- 209.97981 138.5
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