CID 135742257

8-bromo-2-chloroquinazolin-4(3h)-one

Structural Information

Molecular Formula
C8H4BrClN2O
SMILES
C1=CC2=C(C(=C1)Br)N=C(NC2=O)Cl
InChI
InChI=1S/C8H4BrClN2O/c9-5-3-1-2-4-6(5)11-8(10)12-7(4)13/h1-3H,(H,11,12,13)
InChIKey
JSFQZYFLOYNXQM-UHFFFAOYSA-N
Compound name
8-bromo-2-chloro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

257.91956 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.926836 138.5
[M+Na]+ 280.908778 154.1
[M-H]- 256.912284 142.7
[M+NH4]+ 275.953383 158.4
[M+K]+ 296.882718 140.3
[M+H-H2O]+ 240.916820 139.1
[M+HCOO]- 302.917761 152.9
[M+CH3COO]- 316.933411 153.8
[M+Na-2H]- 278.894226 148.7
[M]+ 257.91901142 158.6
[M]- 257.92010858 158.6
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

patents stripe