CID 53399429

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

Structural Information

Molecular Formula
C6H4IN3
SMILES
C1=CN=CC2=NNC(=C21)I
InChI
InChI=1S/C6H4IN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
InChIKey
BFJMHTOBRRZELQ-UHFFFAOYSA-N
Compound name
3-iodo-2H-pyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1628
Patents

244.94499 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.952266 124.4
[M+Na]+ 267.934208 128.9
[M-H]- 243.937714 117.6
[M+NH4]+ 262.978813 139.7
[M+K]+ 283.908148 131.2
[M+H-H2O]+ 227.942250 114.0
[M+HCOO]- 289.943191 141.7
[M+CH3COO]- 303.958841 134.6
[M+Na-2H]- 265.919656 122.8
[M]+ 244.94444142 122.1
[M]- 244.94553858 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe