CID 70700569

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

Structural Information

Molecular Formula

C₆H₃ClIN₃

SMILES

C1=C(N=CC2=C(NN=C21)I)Cl

InChI

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

InChIKey

METUREDHGCAEJK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
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]+	279.913276	128.2
[M+Na]+	301.895218	134.1
[M-H]-	277.898724	121.4
[M+NH4]+	296.939823	143.2
[M+K]+	317.869158	134.8
[M+H-H2O]+	261.903260	118.2
[M+HCOO]-	323.904201	140.9
[M+CH3COO]-	337.919851	138.3
[M+Na-2H]-	299.880666	125.6
[M]+	278.90545142	127.8
[M]-	278.90654858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe