CID 964631

13533-22-7

Structural Information

Molecular Formula

C₁₁H₈ClNO

SMILES

C1=COC(=C1)C=NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H8ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-8H

InChIKey

CBMIDHRPAHWIMC-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-1-(furan-2-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.02943 Da
Monoisotopic Mass: 3.2
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]+	206.03671	142.6
[M+Na]+	228.01865	152.3
[M-H]-	204.02215	151.5
[M+NH4]+	223.06325	163.3
[M+K]+	243.99259	149.0
[M+H-H2O]+	188.02669	136.5
[M+HCOO]-	250.02763	166.1
[M+CH3COO]-	264.04328	185.8
[M+Na-2H]-	226.00410	150.0
[M]+	205.02888	146.3
[M]-	205.02998	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.