CID 58510765

4-(dibenzo[b,d]furan-4-yl)aniline

Structural Information

Molecular Formula

C₁₈H₁₃NO

SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N

InChI

InChI=1S/C18H13NO/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h1-11H,19H2

InChIKey

JPNNLBQKGZVDPF-UHFFFAOYSA-N

Compound name

4-dibenzofuran-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 175
Patents: 259.0997 Da
Monoisotopic Mass: 4.6
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]+	260.106976	156.6
[M+Na]+	282.088918	167.5
[M-H]-	258.092424	166.5
[M+NH4]+	277.133523	175.7
[M+K]+	298.062858	162.3
[M+H-H2O]+	242.096960	149.5
[M+HCOO]-	304.097901	181.1
[M+CH3COO]-	318.113551	170.5
[M+Na-2H]-	280.074366	164.7
[M]+	259.09915142	158.5
[M]-	259.10024858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe