CID 53412782

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

Structural Information

Molecular Formula
C7H4Br2N2
SMILES
C1=CNC2=C1C(=CN=C2Br)Br
InChI
InChI=1S/C7H4Br2N2/c8-5-3-11-7(9)6-4(5)1-2-10-6/h1-3,10H
InChIKey
YGGJWPDZPZHYBA-UHFFFAOYSA-N
Compound name
4,7-dibromo-1H-pyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

273.8741 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.88138 132.9
[M+Na]+ 296.86332 146.5
[M-H]- 272.86682 138.4
[M+NH4]+ 291.90792 153.1
[M+K]+ 312.83726 131.1
[M+H-H2O]+ 256.87136 141.8
[M+HCOO]- 318.87230 149.0
[M+CH3COO]- 332.88795 148.1
[M+Na-2H]- 294.84877 142.3
[M]+ 273.87355 167.3
[M]- 273.87465 167.3
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