CID 69672

5-iodouracil

Structural Information

Molecular Formula

C₄H₃IN₂O₂

SMILES

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

InChI

InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

InChIKey

KSNXJLQDQOIRIP-UHFFFAOYSA-N

Compound name

5-iodo-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 69
References: 32037
Patents: 237.92392 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]+	238.931196	128.0
[M+Na]+	260.913138	131.6
[M-H]-	236.916644	120.4
[M+NH4]+	255.957743	141.4
[M+K]+	276.887078	134.2
[M+H-H2O]+	220.921180	118.5
[M+HCOO]-	282.922121	144.1
[M+CH3COO]-	296.937771	173.5
[M+Na-2H]-	258.898586	123.9
[M]+	237.92337142	123.3
[M]-	237.92446858	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe