CID 72213140

2,5-dichloro-4-iodopyrimidine

Structural Information

Molecular Formula

C₄HCl₂IN₂

SMILES

C1=C(C(=NC(=N1)Cl)I)Cl

InChI

InChI=1S/C4HCl2IN2/c5-2-1-8-4(6)9-3(2)7/h1H

InChIKey

OMRHINHYEHOKCF-UHFFFAOYSA-N

Compound name

2,5-dichloro-4-iodopyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 273.85614 Da
Monoisotopic Mass: 2.5
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]+	274.86342	124.5
[M+Na]+	296.84536	129.4
[M-H]-	272.84886	118.5
[M+NH4]+	291.88996	139.2
[M+K]+	312.81930	131.0
[M+H-H2O]+	256.85340	115.9
[M+HCOO]-	318.85434	133.6
[M+CH3COO]-	332.86999	184.3
[M+Na-2H]-	294.83081	121.3
[M]+	273.85559	124.5
[M]-	273.85669	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe