CID 21429345

4-bromo-2-iodo-6-nitrophenol

Structural Information

Molecular Formula

C₆H₃BrINO₃

SMILES

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

InChI

InChI=1S/C6H3BrINO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H

InChIKey

ZPLWKFTUHXNXLL-UHFFFAOYSA-N

Compound name

4-bromo-2-iodo-6-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 342.8341 Da
Monoisotopic Mass: 3.3
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]+	343.84138	154.3
[M+Na]+	365.82332	159.5
[M-H]-	341.82682	153.4
[M+NH4]+	360.86792	169.8
[M+K]+	381.79726	150.9
[M+H-H2O]+	325.83136	154.5
[M+HCOO]-	387.83230	171.6
[M+CH3COO]-	401.84795	188.2
[M+Na-2H]-	363.80877	150.5
[M]+	342.83355	168.3
[M]-	342.83465	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe