CID 97289946

7-bromo-3-iodo-1h-pyrazolo[3,4-c]pyridine

Structural Information

Molecular Formula
C6H3BrIN3
SMILES
C1=CN=C(C2=NNC(=C21)I)Br
InChI
InChI=1S/C6H3BrIN3/c7-5-4-3(1-2-9-5)6(8)11-10-4/h1-2H,(H,10,11)
InChIKey
RAGDXYJRZOFKCT-UHFFFAOYSA-N
Compound name
7-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.8555 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.86278 134.4
[M+Na]+ 345.84472 142.8
[M-H]- 321.84822 131.2
[M+NH4]+ 340.88932 150.8
[M+K]+ 361.81866 137.0
[M+H-H2O]+ 305.85276 130.7
[M+HCOO]- 367.85370 149.9
[M+CH3COO]- 381.86935 146.2
[M+Na-2H]- 343.83017 133.7
[M]+ 322.85495 150.2
[M]- 322.85605 150.2
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.