CID 59693790

7-bromo-4-chloro-1h-pyrrolo[2,3-c]pyridine

Structural Information

Molecular Formula
C7H4BrClN2
SMILES
C1=CNC2=C1C(=CN=C2Br)Cl
InChI
InChI=1S/C7H4BrClN2/c8-7-6-4(1-2-10-6)5(9)3-11-7/h1-3,10H
InChIKey
UDKUOXRKQJWILR-UHFFFAOYSA-N
Compound name
7-bromo-4-chloro-1H-pyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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.

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