CID 131475430

4-bromopyrazolo[1,5-a]pyridine-2-carbonitrile

Structural Information

Molecular Formula
C8H4BrN3
SMILES
C1=CN2C(=CC(=N2)C#N)C(=C1)Br
InChI
InChI=1S/C8H4BrN3/c9-7-2-1-3-12-8(7)4-6(5-10)11-12/h1-4H
InChIKey
BBSWCQXHUGUESG-UHFFFAOYSA-N
Compound name
4-bromopyrazolo[1,5-a]pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.95886 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.966136 134.3
[M+Na]+ 243.948078 150.8
[M-H]- 219.951584 137.3
[M+NH4]+ 238.992683 154.3
[M+K]+ 259.922018 138.3
[M+H-H2O]+ 203.956120 126.6
[M+HCOO]- 265.957061 154.7
[M+CH3COO]- 279.972711 148.7
[M+Na-2H]- 241.933526 143.2
[M]+ 220.95831142 147.9
[M]- 220.95940858 147.9
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

No patent data available for this compound.