CID 16228102

923230-19-7

Structural Information

Molecular Formula

C₁₁H₁₀FNO

SMILES

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

InChI

InChI=1S/C11H10FNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7,13H2

InChIKey

RPFSMJZOIYNWBT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 191.07465 Da
Monoisotopic Mass: 1.6
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]+	192.08193	137.9
[M+Na]+	214.06387	147.0
[M-H]-	190.06737	144.2
[M+NH4]+	209.10847	157.6
[M+K]+	230.03781	144.5
[M+H-H2O]+	174.07191	130.8
[M+HCOO]-	236.07285	162.8
[M+CH3COO]-	250.08850	184.0
[M+Na-2H]-	212.04932	143.3
[M]+	191.07410	136.8
[M]-	191.07520	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe