CID 99848

3-chloro-4-nitrosophenol

Structural Information

Molecular Formula

C₆H₄ClNO₂

SMILES

C1=CC(=C(C=C1O)Cl)N=O

InChI

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

InChIKey

LCPQHPZPSPNDSA-UHFFFAOYSA-N

Compound name

3-chloro-4-nitrosophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 156.99306 Da
Monoisotopic Mass: 2.1
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	124.8
[M+Na]+	179.98228	138.9
[M+NH4]+	175.02688	133.9
[M+K]+	195.95622	132.4
[M-H]-	155.98578	127.5
[M+Na-2H]-	177.96773	132.8
[M]+	156.99251	127.8
[M]-	156.99361	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe