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]+ 242.95638 138.4
[M+Na]+ 264.93832 153.0
[M-H]- 240.94182 141.4
[M+NH4]+ 259.98292 157.9
[M+K]+ 280.91226 140.4
[M+H-H2O]+ 224.94636 137.4
[M+HCOO]- 286.94730 156.2
[M+CH3COO]- 300.96295 153.3
[M+Na-2H]- 262.92377 148.0
[M]+ 241.94855 155.5
[M]- 241.94965 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.