CID 20254122

2-amino-5-chlorohydroquinone

Structural Information

Molecular Formula

C₆H₆ClNO₂

SMILES

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

InChI

InChI=1S/C6H6ClNO2/c7-3-1-6(10)4(8)2-5(3)9/h1-2,9-10H,8H2

InChIKey

CTSFFLZQKQCKPM-UHFFFAOYSA-N

Compound name

2-amino-5-chlorobenzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 159.00871 Da
Monoisotopic Mass: 1.2
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]+	160.015986	127.2
[M+Na]+	181.997928	137.7
[M-H]-	158.001434	128.8
[M+NH4]+	177.042533	147.8
[M+K]+	197.971868	133.4
[M+H-H2O]+	142.005970	123.7
[M+HCOO]-	204.006911	146.0
[M+CH3COO]-	218.022561	172.8
[M+Na-2H]-	179.983376	132.6
[M]+	159.00816142	126.5
[M]-	159.00925858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe