CID 22558740

5-bromo-3-methyl-1h-indazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

552
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

literature stripe

Patent stripe

patents stripe