CID 135398496

7-fluoroquinazolin-4(3h)-one

Structural Information

Molecular Formula
C8H5FN2O
SMILES
C1=CC2=C(C=C1F)N=CNC2=O
InChI
InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChIKey
KCORZHJVTZIZFD-UHFFFAOYSA-N
Compound name
7-fluoro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

618
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 128.3
[M+Na]+ 187.02781 139.5
[M-H]- 163.03131 128.2
[M+NH4]+ 182.07241 147.0
[M+K]+ 203.00175 135.2
[M+H-H2O]+ 147.03585 120.7
[M+HCOO]- 209.03679 148.3
[M+CH3COO]- 223.05244 141.8
[M+Na-2H]- 185.01326 137.9
[M]+ 164.03804 126.3
[M]- 164.03914 126.3
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