CID 24728212

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

Structural Information

Molecular Formula
C7H4BrIN2
SMILES
C1=CC2=C(NN=C2C=C1Br)I
InChI
InChI=1S/C7H4BrIN2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)
InChIKey
POXUFQBYDQCUFO-UHFFFAOYSA-N
Compound name
6-bromo-3-iodo-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

321.86026 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.86754 137.6
[M+Na]+ 344.84948 145.6
[M-H]- 320.85298 135.4
[M+NH4]+ 339.89408 155.2
[M+K]+ 360.82342 139.6
[M+H-H2O]+ 304.85752 134.3
[M+HCOO]- 366.85846 153.8
[M+CH3COO]- 380.87411 149.5
[M+Na-2H]- 342.83493 136.2
[M]+ 321.85971 153.1
[M]- 321.86081 153.1
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