CID 9877529

4-amino-2,3-dichlorophenol

Structural Information

Molecular Formula

C₆H₅Cl₂NO

SMILES

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

InChI

InChI=1S/C6H5Cl2NO/c7-5-3(9)1-2-4(10)6(5)8/h1-2,10H,9H2

InChIKey

OQHWFUQNSLMSBG-UHFFFAOYSA-N

Compound name

4-amino-2,3-dichlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 235
Patents: 176.97482 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]+	177.98210	129.9
[M+Na]+	199.96404	141.2
[M-H]-	175.96754	132.1
[M+NH4]+	195.00864	150.9
[M+K]+	215.93798	135.8
[M+H-H2O]+	159.97208	127.2
[M+HCOO]-	221.97302	144.9
[M+CH3COO]-	235.98867	178.0
[M+Na-2H]-	197.94949	135.1
[M]+	176.97427	130.7
[M]-	176.97537	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe