CID 74888873

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

Structural Information

Molecular Formula
C8H6BrIN2
SMILES
CC1=C(C2=C(NN=C2C=C1)I)Br
InChI
InChI=1S/C8H6BrIN2/c1-4-2-3-5-6(7(4)9)8(10)12-11-5/h2-3H,1H3,(H,11,12)
InChIKey
ZEICCHRQPJUCAR-UHFFFAOYSA-N
Compound name
4-bromo-3-iodo-5-methyl-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.87592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.88320 141.7
[M+Na]+ 358.86514 150.1
[M-H]- 334.86864 139.7
[M+NH4]+ 353.90974 159.1
[M+K]+ 374.83908 143.9
[M+H-H2O]+ 318.87318 138.4
[M+HCOO]- 380.87412 157.6
[M+CH3COO]- 394.88977 153.5
[M+Na-2H]- 356.85059 139.2
[M]+ 335.87537 157.9
[M]- 335.87647 157.9
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