CID 45789788

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

229.92464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.931916 135.5
[M+Na]+ 252.913858 151.6
[M-H]- 228.917364 139.8
[M+NH4]+ 247.958463 158.2
[M+K]+ 268.887798 138.1
[M+H-H2O]+ 212.921900 136.3
[M+HCOO]- 274.922841 152.0
[M+CH3COO]- 288.938491 151.6
[M+Na-2H]- 250.899306 144.9
[M]+ 229.92409142 156.0
[M]- 229.92518858 156.0
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

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