CID 139596634

Dtxsid301028252

Structural Information

Molecular Formula
C15H9Cl2FN2O2
SMILES
CN1C2=C(C=C(C=C2)F)C(=O)N(C1=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2FN2O2/c1-19-12-5-3-9(18)7-10(12)14(21)20(15(19)22)13-4-2-8(16)6-11(13)17/h2-7H,1H3
InChIKey
PNXIHOULGQIITP-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-6-fluoro-1-methylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

338.0025 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.00978 168.6
[M+Na]+ 360.99172 183.9
[M-H]- 336.99522 173.0
[M+NH4]+ 356.03632 182.9
[M+K]+ 376.96566 175.9
[M+H-H2O]+ 320.99976 159.9
[M+HCOO]- 383.00070 179.4
[M+CH3COO]- 397.01635 180.8
[M+Na-2H]- 358.97717 172.2
[M]+ 338.00195 174.3
[M]- 338.00305 174.3
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

No patent data available for this compound.