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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	339.009776	168.6
[M+Na]+	360.991718	183.9
[M-H]-	336.995224	173.0
[M+NH4]+	356.036323	182.9
[M+K]+	376.965658	175.9
[M+H-H2O]+	320.999760	159.9
[M+HCOO]-	383.000701	179.4
[M+CH3COO]-	397.016351	180.8
[M+Na-2H]-	358.977166	172.2
[M]+	338.00195142	174.3
[M]-	338.00304858	174.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.