CID 54593955

1h-pyrazolo[3,4-b]pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H4ClN3O2S
SMILES
C1=CC2=C(NN=C2N=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H4ClN3O2S/c7-13(11,12)6-4-2-1-3-8-5(4)9-10-6/h1-3H,(H,8,9,10)
InChIKey
BRWSCLIIHQUTSP-UHFFFAOYSA-N
Compound name
2H-pyrazolo[3,4-b]pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

216.97127 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.978546 140.1
[M+Na]+ 239.960488 153.7
[M-H]- 215.963994 140.9
[M+NH4]+ 235.005093 158.6
[M+K]+ 255.934428 148.5
[M+H-H2O]+ 199.968530 134.7
[M+HCOO]- 261.969471 151.8
[M+CH3COO]- 275.985121 153.6
[M+Na-2H]- 237.945936 146.9
[M]+ 216.97072142 145.0
[M]- 216.97181858 145.0
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