CID 13614

1-chloro-4-nitrosobenzene

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1N=O)Cl

InChI

InChI=1S/C6H4ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4H

InChIKey

IEYSGPZUULPJPQ-UHFFFAOYSA-N

Compound name

1-chloro-4-nitrosobenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 198
Patents: 140.99814 Da
Monoisotopic Mass: 2.3
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]+	142.005416	121.5
[M+Na]+	163.987358	131.7
[M-H]-	139.990864	127.0
[M+NH4]+	159.031963	144.5
[M+K]+	179.961298	129.4
[M+H-H2O]+	123.995400	116.9
[M+HCOO]-	185.996341	145.4
[M+CH3COO]-	200.011991	175.8
[M+Na-2H]-	161.972806	131.0
[M]+	140.99759142	124.5
[M]-	140.99868858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe