CID 777700

2061292-70-2

Structural Information

Molecular Formula

C₁₂H₁₂FNO

SMILES

C1=CC(=CC(=C1)F)CNCC2=CC=CO2

InChI

InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2

InChIKey

AFHNQIFVWMDQAM-UHFFFAOYSA-N

Compound name

1-(3-fluorophenyl)-N-(furan-2-ylmethyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.09029 Da
Monoisotopic Mass: 2.0
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]+	206.097566	142.1
[M+Na]+	228.079508	149.7
[M-H]-	204.083014	148.3
[M+NH4]+	223.124113	161.2
[M+K]+	244.053448	147.4
[M+H-H2O]+	188.087550	134.5
[M+HCOO]-	250.088491	167.3
[M+CH3COO]-	264.104141	186.5
[M+Na-2H]-	226.064956	148.7
[M]+	205.08974142	141.9
[M]-	205.09083858	141.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.