CID 452076

5-cl-heiu

Structural Information

Molecular Formula

C₇H₈ClIN₂O₄

SMILES

C(COCN1C(=C(C(=O)NC1=O)Cl)I)O

InChI

InChI=1S/C7H8ClIN2O4/c8-4-5(9)11(3-15-2-1-12)7(14)10-6(4)13/h12H,1-3H2,(H,10,13,14)

InChIKey

APOOKOCAKSTGFR-UHFFFAOYSA-N

Compound name

5-chloro-1-(2-hydroxyethoxymethyl)-6-iodopyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 345.92172 Da
Monoisotopic Mass: 0.0
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]+	346.92900	150.9
[M+Na]+	368.91094	155.2
[M-H]-	344.91444	143.4
[M+NH4]+	363.95554	161.4
[M+K]+	384.88488	156.7
[M+H-H2O]+	328.91898	141.5
[M+HCOO]-	390.91992	162.1
[M+CH3COO]-	404.93557	192.2
[M+Na-2H]-	366.89639	143.7
[M]+	345.92117	152.3
[M]-	345.92227	152.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.