CID 86729935

4-chlorobenzo[h]quinazoline

Structural Information

Molecular Formula

C₁₂H₇ClN₂

SMILES

C1=CC=C2C(=C1)C=CC3=C2N=CN=C3Cl

InChI

InChI=1S/C12H7ClN2/c13-12-10-6-5-8-3-1-2-4-9(8)11(10)14-7-15-12/h1-7H

InChIKey

GOPUDVUYTKXDOR-UHFFFAOYSA-N

Compound name

4-chlorobenzo[h]quinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 214.02977 Da
Monoisotopic Mass: 3.8
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]+	215.03705	141.4
[M+Na]+	237.01899	161.0
[M+NH4]+	232.06359	152.5
[M+K]+	252.99293	150.7
[M-H]-	213.02249	145.9
[M+Na-2H]-	235.00444	152.1
[M]+	214.02922	146.2
[M]-	214.03032	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe