CID 3055561

N-(4-chlorophenyl)-2-benzofurancarboximidamide

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O

SMILES

C1=CC=C2C(=C1)C=C(O2)C(=NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C15H11ClN2O/c16-11-5-7-12(8-6-11)18-15(17)14-9-10-3-1-2-4-13(10)19-14/h1-9H,(H2,17,18)

InChIKey

XQOZNBFNOKYOLQ-UHFFFAOYSA-N

Compound name

N'-(4-chlorophenyl)-1-benzofuran-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.056 Da
Monoisotopic Mass: 4.0
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]+	271.063276	160.8
[M+Na]+	293.045218	170.9
[M-H]-	269.048724	170.5
[M+NH4]+	288.089823	179.4
[M+K]+	309.019158	166.0
[M+H-H2O]+	253.053260	154.0
[M+HCOO]-	315.054201	183.6
[M+CH3COO]-	329.069851	174.4
[M+Na-2H]-	291.030666	167.3
[M]+	270.05545142	164.5
[M]-	270.05654858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.