CID 53249936

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

Structural Information

Molecular Formula

C₆H₃ClIN₃

SMILES

C1=CN=C(C2=C(NN=C21)I)Cl

InChI

InChI=1S/C6H3ClIN3/c7-5-4-3(1-2-9-5)10-11-6(4)8/h1-2H,(H,10,11)

InChIKey

PBVPGWHQJRFJQU-UHFFFAOYSA-N

Compound name

4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 278.906 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.91328	133.9
[M+Na]+	301.89522	141.5
[M+NH4]+	296.93982	138.4
[M+K]+	317.86916	139.7
[M-H]-	277.89872	128.6
[M+Na-2H]-	299.88067	129.0
[M]+	278.90545	132.7
[M]-	278.90655	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe