CID 72213584

5,7-dichloro-1h-pyrazolo[3,4-c]pyridine

Structural Information

Molecular Formula
C6H3Cl2N3
SMILES
C1=C2C=NNC2=C(N=C1Cl)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-4-1-3-2-9-11-5(3)6(8)10-4/h1-2H,(H,9,11)
InChIKey
KBOLGGHOSHXXFH-UHFFFAOYSA-N
Compound name
5,7-dichloro-1H-pyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

186.9704 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97768 131.1
[M+Na]+ 209.95962 144.6
[M-H]- 185.96312 130.3
[M+NH4]+ 205.00422 150.6
[M+K]+ 225.93356 138.4
[M+H-H2O]+ 169.96766 124.7
[M+HCOO]- 231.96860 143.1
[M+CH3COO]- 245.98425 144.6
[M+Na-2H]- 207.94507 138.9
[M]+ 186.96985 133.8
[M]- 186.97095 133.8
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