CID 19696456

7-bromo-6-azaindole

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C1=CNC2=C1C=CN=C2Br
InChI
InChI=1S/C7H5BrN2/c8-7-6-5(1-3-9-6)2-4-10-7/h1-4,9H
InChIKey
HTQAZKOPQOXNHI-UHFFFAOYSA-N
Compound name
7-bromo-1H-pyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

195.96361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.970886 130.4
[M+Na]+ 218.952828 144.8
[M-H]- 194.956334 134.7
[M+NH4]+ 213.997433 153.3
[M+K]+ 234.926768 133.2
[M+H-H2O]+ 178.960870 130.7
[M+HCOO]- 240.961811 151.5
[M+CH3COO]- 254.977461 146.6
[M+Na-2H]- 216.938276 141.0
[M]+ 195.96306142 149.0
[M]- 195.96415858 149.0
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