CID 11183857

4076-50-0

Structural Information

Molecular Formula

C₁₃H₁₀ClNO

SMILES

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

InChI

InChI=1S/C13H10ClNO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2

InChIKey

PELAWRHVRDOWQT-UHFFFAOYSA-N

Compound name

(2-amino-4-chlorophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 157
Patents: 231.04509 Da
Monoisotopic Mass: 3.8
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]+	232.05237	149.0
[M+Na]+	254.03431	164.5
[M+NH4]+	249.07891	158.5
[M+K]+	270.00825	156.2
[M-H]-	230.03781	154.4
[M+Na-2H]-	252.01976	158.9
[M]+	231.04454	153.1
[M]-	231.04564	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe