CID 452077

5-br-heiu

Structural Information

Molecular Formula

C₇H₈BrIN₂O₄

SMILES

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

InChI

InChI=1S/C7H8BrIN2O4/c8-4-5(9)11(3-15-2-1-12)7(14)10-6(4)13/h12H,1-3H2,(H,10,13,14)

InChIKey

YAWJAJCLFDAVNE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 389.87122 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]+	390.87850	154.4
[M+Na]+	412.86044	160.8
[M-H]-	388.86394	149.9
[M+NH4]+	407.90504	166.1
[M+K]+	428.83438	154.9
[M+H-H2O]+	372.86848	149.7
[M+HCOO]-	434.86942	167.7
[M+CH3COO]-	448.88507	197.8
[M+Na-2H]-	410.84589	149.1
[M]+	389.87067	171.4
[M]-	389.87177	171.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.