CID 44119469

5-bromo-2,7-dimethyl-2h-indazole

Structural Information

Molecular Formula
C9H9BrN2
SMILES
CC1=CC(=CC2=CN(N=C12)C)Br
InChI
InChI=1S/C9H9BrN2/c1-6-3-8(10)4-7-5-12(2)11-9(6)7/h3-5H,1-2H3
InChIKey
GFFXVRQYZXKPRF-UHFFFAOYSA-N
Compound name
5-bromo-2,7-dimethylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

223.9949 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.002176 138.5
[M+Na]+ 246.984118 154.2
[M-H]- 222.987624 144.5
[M+NH4]+ 242.028723 161.6
[M+K]+ 262.958058 142.9
[M+H-H2O]+ 206.992160 138.6
[M+HCOO]- 268.993101 160.3
[M+CH3COO]- 283.008751 155.2
[M+Na-2H]- 244.969566 147.1
[M]+ 223.99435142 160.1
[M]- 223.99544858 160.1
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