CID 135398507

7-fluoro-6-nitroquinazolin-4(1h)-one

Structural Information

Molecular Formula
C8H4FN3O3
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=O
InChI
InChI=1S/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)
InChIKey
VTUAEMSZEIGQRM-UHFFFAOYSA-N
Compound name
7-fluoro-6-nitro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

315
Patents

209.02367 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03095 135.5
[M+Na]+ 232.01289 145.8
[M-H]- 208.01639 135.8
[M+NH4]+ 227.05749 151.4
[M+K]+ 247.98683 137.8
[M+H-H2O]+ 192.02093 132.1
[M+HCOO]- 254.02187 156.6
[M+CH3COO]- 268.03752 177.1
[M+Na-2H]- 229.99834 146.0
[M]+ 209.02312 132.5
[M]- 209.02422 132.5
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