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

12
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 133.2
[M+Na]+ 202.03870 144.5
[M-H]- 178.04220 133.0
[M+NH4]+ 197.08330 151.0
[M+K]+ 218.01264 139.7
[M+H-H2O]+ 162.04674 125.5
[M+HCOO]- 224.04768 153.6
[M+CH3COO]- 238.06333 146.2
[M+Na-2H]- 200.02415 141.4
[M]+ 179.04893 129.9
[M]- 179.05003 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