CID 50987379

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

Structural Information

Molecular Formula
C7H4BrIN2
SMILES
C1=C2C=C(NC2=NC=C1Br)I
InChI
InChI=1S/C7H4BrIN2/c8-5-1-4-2-6(9)11-7(4)10-3-5/h1-3H,(H,10,11)
InChIKey
XLGARLVBAUBSRZ-UHFFFAOYSA-N
Compound name
5-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 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

No literature data available for this compound.

Patent stripe

patents stripe