CID 15760295

4,6-diiodopyrimidine

Structural Information

Molecular Formula

C₄H₂I₂N₂

SMILES

C1=C(N=CN=C1I)I

InChI

InChI=1S/C4H2I2N2/c5-3-1-4(6)8-2-7-3/h1-2H

InChIKey

LBVUFZJYMWUZIW-UHFFFAOYSA-N

Compound name

4,6-diiodopyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 478
Patents: 331.83075 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]+	332.838026	126.1
[M+Na]+	354.819968	121.2
[M-H]-	330.823474	115.8
[M+NH4]+	349.864573	135.1
[M+K]+	370.793908	131.4
[M+H-H2O]+	314.828010	114.1
[M+HCOO]-	376.828951	137.8
[M+CH3COO]-	390.844601	194.1
[M+Na-2H]-	352.805416	117.7
[M]+	331.83020142	121.3
[M]-	331.83129858	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe