CID 86729951

5-bromo-3-iodopyrazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C7H4BrIN2
SMILES
C1=CN2C(=C(C=N2)I)C=C1Br
InChI
InChI=1S/C7H4BrIN2/c8-5-1-2-11-7(3-5)6(9)4-10-11/h1-4H
InChIKey
YNUNHMFPOBWUGX-UHFFFAOYSA-N
Compound name
5-bromo-3-iodopyrazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

321.86026 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.86754 135.8
[M+Na]+ 344.84948 144.2
[M-H]- 320.85298 134.8
[M+NH4]+ 339.89408 154.1
[M+K]+ 360.82342 139.2
[M+H-H2O]+ 304.85752 132.4
[M+HCOO]- 366.85846 153.4
[M+CH3COO]- 380.87411 148.4
[M+Na-2H]- 342.83493 134.9
[M]+ 321.85971 153.0
[M]- 321.86081 153.0
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