CID 422187

71350-68-0

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

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

InChI

InChI=1S/C14H13NO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10,15H2

InChIKey

DWDFSNARQSUYQN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 211.09972 Da
Monoisotopic Mass: 2.9
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]+	212.10700	146.7
[M+Na]+	234.08894	153.4
[M-H]-	210.09244	152.9
[M+NH4]+	229.13354	164.6
[M+K]+	250.06288	149.5
[M+H-H2O]+	194.09698	139.4
[M+HCOO]-	256.09792	170.9
[M+CH3COO]-	270.11357	189.4
[M+Na-2H]-	232.07439	152.2
[M]+	211.09917	144.6
[M]-	211.10027	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe