CID 21223080

1240390-28-6

Structural Information

Molecular Formula

C₅H₃Cl₂N₃O

SMILES

C1=C(C(=NC(=N1)Cl)Cl)C(=O)N

InChI

InChI=1S/C5H3Cl2N3O/c6-3-2(4(8)11)1-9-5(7)10-3/h1H,(H2,8,11)

InChIKey

OACCNUGECQQVLB-UHFFFAOYSA-N

Compound name

2,4-dichloropyrimidine-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 314
Patents: 190.96532 Da
Monoisotopic Mass: 1.0
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]+	191.97260	131.8
[M+Na]+	213.95454	142.9
[M-H]-	189.95804	132.3
[M+NH4]+	208.99914	149.7
[M+K]+	229.92848	138.4
[M+H-H2O]+	173.96258	126.4
[M+HCOO]-	235.96352	145.1
[M+CH3COO]-	249.97917	181.7
[M+Na-2H]-	211.93999	137.6
[M]+	190.96477	133.1
[M]-	190.96587	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe