CID 145913471

4-chloro-3-iodopyrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula

C₆H₃ClIN₃

SMILES

C1=CN2C(=C(C=N2)I)C(=N1)Cl

InChI

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

InChIKey

ZSNIYFBYEWFTKA-UHFFFAOYSA-N

Compound name

4-chloro-3-iodopyrazolo[1,5-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 278.906 Da
Monoisotopic Mass: 1.6
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	133.0
[M+Na]+	301.89522	141.2
[M+NH4]+	296.93982	137.9
[M+K]+	317.86916	139.1
[M-H]-	277.89872	128.2
[M+Na-2H]-	299.88067	128.8
[M]+	278.90545	132.1
[M]-	278.90655	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe