CID 24728933

7-bromo-3-iodo-1h-indazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

321.86026 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.867536 137.6
[M+Na]+ 344.849478 145.6
[M-H]- 320.852984 135.4
[M+NH4]+ 339.894083 155.2
[M+K]+ 360.823418 139.6
[M+H-H2O]+ 304.857520 134.3
[M+HCOO]- 366.858461 153.8
[M+CH3COO]- 380.874111 149.5
[M+Na-2H]- 342.834926 136.2
[M]+ 321.85971142 153.1
[M]- 321.86080858 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

No literature data available for this compound.

Patent stripe

patents stripe