CID 16658240

88145-90-8

Structural Information

Molecular Formula

C₈H₅FN₂O₂

SMILES

C1=CC2=C(C=C1F)C(=O)NC(=O)N2

InChI

InChI=1S/C8H5FN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)

InChIKey

QUQJMNPJMVUMNE-UHFFFAOYSA-N

Compound name

6-fluoro-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 180.03351 Da
Monoisotopic Mass: 0.9
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]+	181.040786	131.5
[M+Na]+	203.022728	143.4
[M-H]-	179.026234	130.4
[M+NH4]+	198.067333	149.0
[M+K]+	218.996668	138.1
[M+H-H2O]+	163.030770	124.2
[M+HCOO]-	225.031711	150.3
[M+CH3COO]-	239.047361	174.8
[M+Na-2H]-	201.008176	139.8
[M]+	180.03296142	128.8
[M]-	180.03405858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe