CID 135402695

8-fluoroquinazolin-4(1h)-one

Structural Information

Molecular Formula
C8H5FN2O
SMILES
C1=CC2=C(C(=C1)F)N=CNC2=O
InChI
InChI=1S/C8H5FN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12)
InChIKey
SMHLOFQPJIEWSB-UHFFFAOYSA-N
Compound name
8-fluoro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

164.03859 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04587 129.7
[M+Na]+ 187.02781 144.1
[M+NH4]+ 182.07241 137.7
[M+K]+ 203.00175 137.4
[M-H]- 163.03131 129.9
[M+Na-2H]- 185.01326 136.9
[M]+ 164.03804 131.7
[M]- 164.03914 131.7
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