CID 617686

6-bromo-2,4(1h,3h)-quinazolinedione

Structural Information

Molecular Formula
C8H5BrN2O2
SMILES
C1=CC2=C(C=C1Br)C(=O)NC(=O)N2
InChI
InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
InChIKey
JZDVFUAHGLJVQG-UHFFFAOYSA-N
Compound name
6-bromo-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

239.95345 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96073 137.0
[M+Na]+ 262.94267 151.2
[M-H]- 238.94617 140.0
[M+NH4]+ 257.98727 155.9
[M+K]+ 278.91661 138.2
[M+H-H2O]+ 222.95071 137.0
[M+HCOO]- 284.95165 154.7
[M+CH3COO]- 298.96730 151.7
[M+Na-2H]- 260.92812 146.9
[M]+ 239.95290 154.1
[M]- 239.95400 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe