CID 135510687

5,7-difluoro-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C8H4F2N2O
SMILES
C1=C(C=C(C2=C1N=CNC2=O)F)F
InChI
InChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,(H,11,12,13)
InChIKey
DIQRRDUOMDYXDK-UHFFFAOYSA-N
Compound name
5,7-difluoro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

182.02917 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03645 131.2
[M+Na]+ 205.01839 143.4
[M-H]- 181.02189 130.1
[M+NH4]+ 200.06299 149.4
[M+K]+ 220.99233 138.5
[M+H-H2O]+ 165.02643 122.7
[M+HCOO]- 227.02737 150.1
[M+CH3COO]- 241.04302 144.4
[M+Na-2H]- 203.00384 139.4
[M]+ 182.02862 128.4
[M]- 182.02972 128.4
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