CID 76846143

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

Structural Information

Molecular Formula
C8H6BrIN2
SMILES
CN1C2=C(C=CC(=C2)Br)C(=N1)I
InChI
InChI=1S/C8H6BrIN2/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3
InChIKey
MENLMBSCMKXEFP-UHFFFAOYSA-N
Compound name
6-bromo-3-iodo-1-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

335.87592 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.88320 139.9
[M+Na]+ 358.86514 148.7
[M-H]- 334.86864 139.1
[M+NH4]+ 353.90974 157.9
[M+K]+ 374.83908 143.4
[M+H-H2O]+ 318.87318 136.4
[M+HCOO]- 380.87412 157.1
[M+CH3COO]- 394.88977 152.4
[M+Na-2H]- 356.85059 137.9
[M]+ 335.87537 157.7
[M]- 335.87647 157.7
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