CID 15365649

6645-70-1

Structural Information

Molecular Formula

C₃H₂I₂N₂

SMILES

C1=NNC(=C1I)I

InChI

InChI=1S/C3H2I2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)

InChIKey

NQFPCGSUWQGQNW-UHFFFAOYSA-N

Compound name

4,5-diiodo-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 319.83075 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]+	320.83803	123.4
[M+Na]+	342.81997	118.6
[M-H]-	318.82347	112.5
[M+NH4]+	337.86457	133.9
[M+K]+	358.79391	128.6
[M+H-H2O]+	302.82801	112.0
[M+HCOO]-	364.82895	134.9
[M+CH3COO]-	378.84460	189.7
[M+Na-2H]-	340.80542	113.0
[M]+	319.83020	117.6
[M]-	319.83130	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe