CID 6451917

42771-78-8

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

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

InChI

InChI=1S/C14H13NO/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h2-9H,15H2,1H3

InChIKey

RFHQDKCYTRLWBB-UHFFFAOYSA-N

Compound name

1-(3-amino-4-phenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 211.09972 Da
Monoisotopic Mass: 2.6
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]+	212.106996	146.5
[M+Na]+	234.088938	154.2
[M-H]-	210.092444	153.1
[M+NH4]+	229.133543	164.7
[M+K]+	250.062878	150.3
[M+H-H2O]+	194.096980	139.4
[M+HCOO]-	256.097921	170.7
[M+CH3COO]-	270.113571	190.6
[M+Na-2H]-	232.074386	151.2
[M]+	211.09917142	144.8
[M]-	211.10026858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe