CID 99846

2-chloro-4-nitrosophenol, moist

Structural Information

Molecular Formula

C₆H₄ClNO₂

SMILES

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

InChI

InChI=1S/C6H4ClNO2/c7-5-3-4(8-10)1-2-6(5)9/h1-3,9H

InChIKey

RHTVYQUNDOIUHF-UHFFFAOYSA-N

Compound name

2-chloro-4-nitrosophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 29
Patents: 156.99306 Da
Monoisotopic Mass: 1.8
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]+	158.00034	124.5
[M+Na]+	179.98228	135.2
[M-H]-	155.98578	129.1
[M+NH4]+	175.02688	146.5
[M+K]+	195.95622	132.4
[M+H-H2O]+	139.99032	120.2
[M+HCOO]-	201.99126	147.2
[M+CH3COO]-	216.00691	176.3
[M+Na-2H]-	177.96773	132.8
[M]+	156.99251	127.5
[M]-	156.99361	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe