CID 291871

2-bromo-4-chloro-6-nitrophenol

Structural Information

Molecular Formula

C₆H₃BrClNO₃

SMILES

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

InChI

InChI=1S/C6H3BrClNO3/c7-4-1-3(8)2-5(6(4)10)9(11)12/h1-2,10H

InChIKey

POBOBTAMSJHELX-UHFFFAOYSA-N

Compound name

2-bromo-4-chloro-6-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 250.89848 Da
Monoisotopic Mass: 4.1
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]+	251.90576	139.8
[M+Na]+	273.88770	153.0
[M-H]-	249.89120	145.4
[M+NH4]+	268.93230	160.4
[M+K]+	289.86164	136.8
[M+H-H2O]+	233.89574	145.4
[M+HCOO]-	295.89668	158.1
[M+CH3COO]-	309.91233	180.8
[M+Na-2H]-	271.87315	148.0
[M]+	250.89793	159.2
[M]-	250.89903	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe