CID 4348294

2-amino-4-chloro-6-nitrophenol

Structural Information

Molecular Formula

C₆H₅ClN₂O₃

SMILES

C1=C(C=C(C(=C1N)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C6H5ClN2O3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H,8H2

InChIKey

MHAFRUMLQZZSIN-UHFFFAOYSA-N

Compound name

2-amino-4-chloro-6-nitrophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 492
Patents: 187.99887 Da
Monoisotopic Mass: 1.7
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]+	189.00615	131.4
[M+Na]+	210.98809	144.9
[M+NH4]+	206.03269	139.6
[M+K]+	226.96203	142.2
[M-H]-	186.99159	134.5
[M+Na-2H]-	208.97354	137.4
[M]+	187.99832	134.3
[M]-	187.99942	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe