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

166
Patents

146.98355 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.99083 121.1
[M+Na]+ 169.97277 133.3
[M-H]- 145.97627 118.9
[M+NH4]+ 165.01737 138.2
[M+K]+ 185.94671 128.5
[M+H-H2O]+ 129.98081 115.2
[M+HCOO]- 191.98175 136.7
[M+CH3COO]- 205.99740 165.0
[M+Na-2H]- 167.95822 129.5
[M]+ 146.98300 120.5
[M]- 146.98410 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.