CID 135742364

869475-52-5

Structural Information

Molecular Formula
C9H7FN2O2
SMILES
COC1=C(C=C2C(=C1)C(=O)NC=N2)F
InChI
InChI=1S/C9H7FN2O2/c1-14-8-2-5-7(3-6(8)10)11-4-12-9(5)13/h2-4H,1H3,(H,11,12,13)
InChIKey
FKPZPNBUKLAYAF-UHFFFAOYSA-N
Compound name
7-fluoro-6-methoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.04915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.056426 136.3
[M+Na]+ 217.038368 147.8
[M-H]- 193.041874 136.4
[M+NH4]+ 212.082973 154.0
[M+K]+ 233.012308 143.8
[M+H-H2O]+ 177.046410 128.4
[M+HCOO]- 239.047351 156.1
[M+CH3COO]- 253.063001 181.0
[M+Na-2H]- 215.023816 144.6
[M]+ 194.04860142 136.4
[M]- 194.04969858 136.4
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