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

281
Patents

321.86026 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe