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

10
Patents

179.04948 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05676 132.7
[M+Na]+ 202.03870 145.9
[M+NH4]+ 197.08330 140.0
[M+K]+ 218.01264 140.1
[M-H]- 178.04220 133.0
[M+Na-2H]- 200.02415 138.9
[M]+ 179.04893 134.4
[M]- 179.05003 134.4
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