CID 65741

Diphenylcarbamyl chloride

Structural Information

Molecular Formula

C₁₃H₁₀ClNO

SMILES

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

InChI

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

InChIKey

XNBKKRFABABBPM-UHFFFAOYSA-N

Compound name

N,N-diphenylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1337
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	149.1
[M+Na]+	254.03431	164.3
[M+NH4]+	249.07891	159.0
[M+K]+	270.00825	156.0
[M-H]-	230.03781	154.9
[M+Na-2H]-	252.01976	160.2
[M]+	231.04454	153.3
[M]-	231.04564	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe