CID 46835522

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

Structural Information

Molecular Formula
C7H4BrClN2
SMILES
C1=CNC2=NC=C(C(=C21)Br)Cl
InChI
InChI=1S/C7H4BrClN2/c8-6-4-1-2-10-7(4)11-3-5(6)9/h1-3H,(H,10,11)
InChIKey
UHOQDMKXJCJJGE-UHFFFAOYSA-N
Compound name
4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

229.92464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.93192 140.7
[M+Na]+ 252.91386 146.5
[M+NH4]+ 247.95846 146.5
[M+K]+ 268.88780 146.5
[M-H]- 228.91736 140.9
[M+Na-2H]- 250.89931 144.7
[M]+ 229.92409 140.7
[M]- 229.92519 140.7
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