CID 46737906

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

229.92464 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

patents stripe