CID 135971906

7,8-dichloro-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula

C₈H₄Cl₂N₂O

SMILES

C1=CC(=C(C2=C1C(=O)NC=N2)Cl)Cl

InChI

InChI=1S/C8H4Cl2N2O/c9-5-2-1-4-7(6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13)

InChIKey

LUAJVEZUTYZKHD-UHFFFAOYSA-N

Compound name

7,8-dichloro-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 213.97006 Da
Monoisotopic Mass: 2.0
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]+	214.977336	136.2
[M+Na]+	236.959278	149.1
[M-H]-	212.962784	136.7
[M+NH4]+	232.003883	154.4
[M+K]+	252.933218	142.5
[M+H-H2O]+	196.967320	130.8
[M+HCOO]-	258.968261	147.4
[M+CH3COO]-	272.983911	149.3
[M+Na-2H]-	234.944726	144.4
[M]+	213.96951142	138.5
[M]-	213.97060858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe