CID 130116563

1823330-44-4

Structural Information

Molecular Formula

C₈H₆Cl₂N₂O

SMILES

C1CC2=C(C(=O)C1)N=C(N=C2Cl)Cl

InChI

InChI=1S/C8H6Cl2N2O/c9-7-4-2-1-3-5(13)6(4)11-8(10)12-7/h1-3H2

InChIKey

COVOQJOFHIWADC-UHFFFAOYSA-N

Compound name

2,4-dichloro-6,7-dihydro-5H-quinazolin-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 215.98572 Da
Monoisotopic Mass: 2.6
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]+	216.992996	139.1
[M+Na]+	238.974938	150.4
[M-H]-	214.978444	140.3
[M+NH4]+	234.019543	157.7
[M+K]+	254.948878	145.1
[M+H-H2O]+	198.982980	133.2
[M+HCOO]-	260.983921	148.9
[M+CH3COO]-	274.999571	151.8
[M+Na-2H]-	236.960386	145.6
[M]+	215.98517142	140.3
[M]-	215.98626858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe