CID 88996894

2-chloro-5-fluoro-4-iodopyrimidine

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4HClFIN2/c5-4-8-1-2(6)3(7)9-4/h1H

InChIKey

ZAFAGWAHWPEKOZ-UHFFFAOYSA-N

Compound name

2-chloro-5-fluoro-4-iodopyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 257.8857 Da
Monoisotopic Mass: 2.0
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]+	258.89298	122.5
[M+Na]+	280.87492	127.2
[M-H]-	256.87842	115.9
[M+NH4]+	275.91952	137.5
[M+K]+	296.84886	129.7
[M+H-H2O]+	240.88296	112.5
[M+HCOO]-	302.88390	135.6
[M+CH3COO]-	316.89955	182.3
[M+Na-2H]-	278.86037	119.3
[M]+	257.88515	120.7
[M]-	257.88625	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe