CID 135622318

877825-72-4

Structural Information

Molecular Formula
C8H6FN3O
SMILES
C1=C2C(=CC(=C1N)F)N=CNC2=O
InChI
InChI=1S/C8H6FN3O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-3H,10H2,(H,11,12,13)
InChIKey
QWHMKSRMYPVROB-UHFFFAOYSA-N
Compound name
6-amino-7-fluoro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

179.04948 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.056756 133.2
[M+Na]+ 202.038698 144.5
[M-H]- 178.042204 133.0
[M+NH4]+ 197.083303 151.0
[M+K]+ 218.012638 139.7
[M+H-H2O]+ 162.046740 125.5
[M+HCOO]- 224.047681 153.6
[M+CH3COO]- 238.063331 146.2
[M+Na-2H]- 200.024146 141.4
[M]+ 179.04893142 129.9
[M]- 179.05002858 129.9
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

patents stripe