CID 4155765

5833-88-5

Structural Information

Molecular Formula

C₁₂H₈ClNO

SMILES

C1=CC=C2C(=C1)C3=CC(=C(C=C3O2)N)Cl

InChI

InChI=1S/C12H8ClNO/c13-9-5-8-7-3-1-2-4-11(7)15-12(8)6-10(9)14/h1-6H,14H2

InChIKey

WBIXAQXWIPSKLF-UHFFFAOYSA-N

Compound name

2-chlorodibenzofuran-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 217.02943 Da
Monoisotopic Mass: 3.6
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]+	218.036706	143.0
[M+Na]+	240.018648	156.0
[M-H]-	216.022154	149.9
[M+NH4]+	235.063253	165.3
[M+K]+	255.992588	151.0
[M+H-H2O]+	200.026690	138.4
[M+HCOO]-	262.027631	163.6
[M+CH3COO]-	276.043281	158.1
[M+Na-2H]-	238.004096	151.6
[M]+	217.02888142	147.6
[M]-	217.02997858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe