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

5
Patents

194.04915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05643 136.3
[M+Na]+ 217.03837 147.8
[M-H]- 193.04187 136.4
[M+NH4]+ 212.08297 154.0
[M+K]+ 233.01231 143.8
[M+H-H2O]+ 177.04641 128.4
[M+HCOO]- 239.04735 156.1
[M+CH3COO]- 253.06300 181.0
[M+Na-2H]- 215.02382 144.6
[M]+ 194.04860 136.4
[M]- 194.04970 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