CID 122173275

3-bromo-1h-pyrazolo[4,3-b]pyridine-5-carbonitrile

Structural Information

Molecular Formula
C7H3BrN4
SMILES
C1=CC2=NNC(=C2N=C1C#N)Br
InChI
InChI=1S/C7H3BrN4/c8-7-6-5(11-12-7)2-1-4(3-9)10-6/h1-2H,(H,11,12)
InChIKey
ZOQLWKIWJZDDNL-UHFFFAOYSA-N
Compound name
3-bromo-2H-pyrazolo[4,3-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.95412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96140 132.6
[M+Na]+ 244.94334 148.7
[M-H]- 220.94684 133.2
[M+NH4]+ 239.98794 150.7
[M+K]+ 260.91728 136.0
[M+H-H2O]+ 204.95138 124.5
[M+HCOO]- 266.95232 150.8
[M+CH3COO]- 280.96797 146.1
[M+Na-2H]- 242.92879 141.6
[M]+ 221.95357 144.7
[M]- 221.95467 144.7
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.