CID 81442

6972-27-6

Structural Information

Molecular Formula

C₆H₇ClN₂O₂

SMILES

CN1C(=CC(=O)N(C1=O)C)Cl

InChI

InChI=1S/C6H7ClN2O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,1-2H3

InChIKey

VATQPUHLFQHDBD-UHFFFAOYSA-N

Compound name

6-chloro-1,3-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 190
Patents: 174.0196 Da
Monoisotopic Mass: 0.2
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]+	175.02688	129.5
[M+Na]+	197.00882	145.1
[M+NH4]+	192.05342	137.1
[M+K]+	212.98276	139.0
[M-H]-	173.01232	130.0
[M+Na-2H]-	194.99427	136.2
[M]+	174.01905	132.1
[M]-	174.02015	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe