CID 24229212

5-bromo-3-iodo-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C7H4BrIN2
SMILES
C1=C(C=NC2=C1C(=CN2)I)Br
InChI
InChI=1S/C7H4BrIN2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1-3H,(H,10,11)
InChIKey
GIPGJYARDOQGDJ-UHFFFAOYSA-N
Compound name
5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

321.86026 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.86754 145.6
[M+Na]+ 344.84948 144.1
[M+NH4]+ 339.89408 147.2
[M+K]+ 360.82342 147.3
[M-H]- 320.85298 140.3
[M+Na-2H]- 342.83493 138.5
[M]+ 321.85971 141.9
[M]- 321.86081 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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