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]+ 274.881376 132.9
[M+Na]+ 296.863318 146.5
[M-H]- 272.866824 138.4
[M+NH4]+ 291.907923 153.1
[M+K]+ 312.837258 131.1
[M+H-H2O]+ 256.871360 141.8
[M+HCOO]- 318.872301 149.0
[M+CH3COO]- 332.887951 148.1
[M+Na-2H]- 294.848766 142.3
[M]+ 273.87355142 167.3
[M]- 273.87464858 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