CID 135867536

7-chloro-3-nitro-1h-pyrazolo[3,4-c]pyridine

Structural Information

Molecular Formula
C6H3ClN4O2
SMILES
C1=CN=C(C2=NNC(=C21)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H3ClN4O2/c7-5-4-3(1-2-8-5)6(10-9-4)11(12)13/h1-2H,(H,9,10)
InChIKey
PSJJYTFYDCJOFS-UHFFFAOYSA-N
Compound name
7-chloro-3-nitro-2H-pyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.99445 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.001726 133.5
[M+Na]+ 220.983668 144.7
[M-H]- 196.987174 133.7
[M+NH4]+ 216.028273 151.1
[M+K]+ 236.957608 136.3
[M+H-H2O]+ 180.991710 131.3
[M+HCOO]- 242.992651 152.0
[M+CH3COO]- 257.008301 172.5
[M+Na-2H]- 218.969116 144.1
[M]+ 197.99390142 134.1
[M]- 197.99499858 134.1
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.