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: 195
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	148.7
[M+Na]+	254.03431	157.7
[M-H]-	230.03781	155.3
[M+NH4]+	249.07891	167.0
[M+K]+	270.00825	152.1
[M+H-H2O]+	214.04235	142.6
[M+HCOO]-	276.04329	168.8
[M+CH3COO]-	290.05894	191.3
[M+Na-2H]-	252.01976	153.5
[M]+	231.04454	149.0
[M]-	231.04564	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe