CID 136677460

1564917-02-7

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]+ 242.956376 138.4
[M+Na]+ 264.938318 153.0
[M-H]- 240.941824 141.4
[M+NH4]+ 259.982923 157.9
[M+K]+ 280.912258 140.4
[M+H-H2O]+ 224.946360 137.4
[M+HCOO]- 286.947301 156.2
[M+CH3COO]- 300.962951 153.3
[M+Na-2H]- 262.923766 148.0
[M]+ 241.94855142 155.5
[M]- 241.94964858 155.5
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.