CID 10753398

69764-19-8

Structural Information

Molecular Formula

C₁₅H₈ClNO

SMILES

C1=CC=C2C(=C1)C(=C3C(=N2)C4=CC=CC=C4O3)Cl

InChI

InChI=1S/C15H8ClNO/c16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8H

InChIKey

HRDMDJDWZDIBRL-UHFFFAOYSA-N

Compound name

11-chloro-[1]benzofuro[3,2-b]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 253.02943 Da
Monoisotopic Mass: 4.3
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]+	254.03671	151.4
[M+Na]+	276.01865	166.1
[M-H]-	252.02215	158.4
[M+NH4]+	271.06325	172.2
[M+K]+	291.99259	160.1
[M+H-H2O]+	236.02669	144.8
[M+HCOO]-	298.02763	170.2
[M+CH3COO]-	312.04328	166.2
[M+Na-2H]-	274.00410	162.1
[M]+	253.02888	159.1
[M]-	253.02998	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe