CID 13129973

4-chloro-n-ethyl-n-nitrosobenzenamine

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

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

InChI

InChI=1S/C8H9ClN2O/c1-2-11(10-12)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

InChIKey

KMQRJEAIHLLXDW-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-N-ethylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 184.04034 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]+	185.04762	135.4
[M+Na]+	207.02956	148.5
[M+NH4]+	202.07416	144.8
[M+K]+	223.00350	141.4
[M-H]-	183.03306	139.5
[M+Na-2H]-	205.01501	144.0
[M]+	184.03979	138.6
[M]-	184.04089	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe