CID 5272742

6,8-dichloro-3-hydroxy-1h-quinazoline-2,4-dione

Structural Information

Molecular Formula
C8H4Cl2N2O3
SMILES
C1=C(C=C(C2=C1C(=O)N(C(=O)N2)O)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2O3/c9-3-1-4-6(5(10)2-3)11-8(14)12(15)7(4)13/h1-2,15H,(H,11,14)
InChIKey
ARKGKVREZHSFPF-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-hydroxy-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.9599 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96718 141.2
[M+Na]+ 268.94912 155.4
[M-H]- 244.95262 141.3
[M+NH4]+ 263.99372 157.8
[M+K]+ 284.92306 148.8
[M+H-H2O]+ 228.95716 136.5
[M+HCOO]- 290.95810 151.5
[M+CH3COO]- 304.97375 185.4
[M+Na-2H]- 266.93457 147.5
[M]+ 245.95935 144.7
[M]- 245.96045 144.7
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.