CID 2474281

69146-89-0

Structural Information

Molecular Formula

C₁₁H₁₀ClNO

SMILES

C1=CC(=CC=C1C2=CC=C(O2)CN)Cl

InChI

InChI=1S/C11H10ClNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7,13H2

InChIKey

DNFUQWUUNLYWSL-UHFFFAOYSA-N

Compound name

[5-(4-chlorophenyl)furan-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 207.04509 Da
Monoisotopic Mass: 2.2
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]+	208.052366	143.8
[M+Na]+	230.034308	153.6
[M-H]-	206.037814	151.2
[M+NH4]+	225.078913	163.8
[M+K]+	246.008248	149.6
[M+H-H2O]+	190.042350	138.3
[M+HCOO]-	252.043291	165.0
[M+CH3COO]-	266.058941	158.0
[M+Na-2H]-	228.019756	149.1
[M]+	207.04454142	145.8
[M]-	207.04563858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe