CID 96376

33758-39-3

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

CCN(C1=CC=CC=C1)C(=O)Cl

InChI

InChI=1S/C9H10ClNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

CDGCUPPKLDOYGV-UHFFFAOYSA-N

Compound name

N-ethyl-N-phenylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 296
Patents: 183.04509 Da
Monoisotopic Mass: 2.7
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]+	184.052366	136.7
[M+Na]+	206.034308	144.3
[M-H]-	182.037814	141.7
[M+NH4]+	201.078913	157.8
[M+K]+	222.008248	142.1
[M+H-H2O]+	166.042350	131.4
[M+HCOO]-	228.043291	157.8
[M+CH3COO]-	242.058941	184.8
[M+Na-2H]-	204.019756	142.8
[M]+	183.04454142	139.3
[M]-	183.04563858	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe