CID 118372

6-chloro-1,3,5-triazine-2,4(1h,3h)-dione

Structural Information

Molecular Formula

C₃H₂ClN₃O₂

SMILES

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

InChI

InChI=1S/C3H2ClN3O2/c4-1-5-2(8)7-3(9)6-1/h(H2,5,6,7,8,9)

InChIKey

YDHNHFNGJCKAIZ-UHFFFAOYSA-N

Compound name

6-chloro-1H-1,3,5-triazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 243
Patents: 146.98355 Da
Monoisotopic Mass: 0.1
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]+	147.99083	122.0
[M+Na]+	169.97277	136.0
[M+NH4]+	165.01737	128.5
[M+K]+	185.94671	131.1
[M-H]-	145.97627	120.5
[M+Na-2H]-	167.95822	128.1
[M]+	146.98300	123.6
[M]-	146.98410	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe