CID 91353736

4,6-dichloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C8H7Cl2N3
SMILES
CC1=NN(C2=C1C(=CC(=N2)Cl)Cl)C
InChI
InChI=1S/C8H7Cl2N3/c1-4-7-5(9)3-6(10)11-8(7)13(2)12-4/h3H,1-2H3
InChIKey
CAYCBZPKHZCRTI-UHFFFAOYSA-N
Compound name
4,6-dichloro-1,3-dimethylpyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.00171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00899 139.9
[M+Na]+ 237.99093 157.0
[M+NH4]+ 233.03553 149.1
[M+K]+ 253.96487 150.5
[M-H]- 213.99443 141.3
[M+Na-2H]- 235.97638 147.1
[M]+ 215.00116 143.5
[M]- 215.00226 143.5
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