CID 136677460

5-bromo-8-fluoroquinazolin-4(3h)-one

Structural Information

Molecular Formula
C8H4BrFN2O
SMILES
C1=CC(=C2C(=C1F)N=CNC2=O)Br
InChI
InChI=1S/C8H4BrFN2O/c9-4-1-2-5(10)7-6(4)8(13)12-3-11-7/h1-3H,(H,11,12,13)
InChIKey
KJKYJJRBYPEFPB-UHFFFAOYSA-N
Compound name
5-bromo-8-fluoro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.9491 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95638 142.3
[M+Na]+ 264.93832 147.2
[M+NH4]+ 259.98292 146.5
[M+K]+ 280.91226 146.6
[M-H]- 240.94182 141.1
[M+Na-2H]- 262.92377 145.6
[M]+ 241.94855 141.4
[M]- 241.94965 141.4
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.