CID 4021277

3-(2,4-dichlorophenyl)-6-fluoroquinazoline-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C14H7Cl2FN2O2
SMILES
C1=CC2=C(C=C1F)C(=O)N(C(=O)N2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)
InChIKey
WSABVXQKFNLRDA-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

12
Patents

323.98685 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.99413 163.9
[M+Na]+ 346.97607 178.4
[M-H]- 322.97957 166.8
[M+NH4]+ 342.02067 177.8
[M+K]+ 362.95001 169.7
[M+H-H2O]+ 306.98411 155.7
[M+HCOO]- 368.98505 173.7
[M+CH3COO]- 383.00070 175.6
[M+Na-2H]- 344.96152 168.4
[M]+ 323.98630 167.2
[M]- 323.98740 167.2
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