CID 778082

362-46-9

Structural Information

Molecular Formula

C₁₃H₁₀FNO

SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)F)N

InChI

InChI=1S/C13H10FNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2

InChIKey

OTBMFWQZXXWHOO-UHFFFAOYSA-N

Compound name

(2-amino-5-fluorophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 88
Patents: 215.07465 Da
Monoisotopic Mass: 3.1
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]+	216.08193	146.7
[M+Na]+	238.06387	160.2
[M+NH4]+	233.10847	155.1
[M+K]+	254.03781	153.0
[M-H]-	214.06737	150.5
[M+Na-2H]-	236.04932	155.7
[M]+	215.07410	149.6
[M]-	215.07520	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe