CID 22558977

5-bromo-2-ethyl-2h-indazole

Structural Information

Molecular Formula
C9H9BrN2
SMILES
CCN1C=C2C=C(C=CC2=N1)Br
InChI
InChI=1S/C9H9BrN2/c1-2-12-6-7-5-8(10)3-4-9(7)11-12/h3-6H,2H2,1H3
InChIKey
HQGWVFUIGSFDSL-UHFFFAOYSA-N
Compound name
5-bromo-2-ethylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

223.9949 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00218 142.6
[M+Na]+ 246.98412 147.7
[M+NH4]+ 242.02872 148.1
[M+K]+ 262.95806 147.8
[M-H]- 222.98762 143.0
[M+Na-2H]- 244.96957 146.5
[M]+ 223.99435 142.3
[M]- 223.99545 142.3
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