CID 22630184

3,5-dibromo-4-iodophenol

Structural Information

Molecular Formula

C₆H₃Br₂IO

SMILES

C1=C(C=C(C(=C1Br)I)Br)O

InChI

InChI=1S/C6H3Br2IO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H

InChIKey

LNUGCGTZSRCVPL-UHFFFAOYSA-N

Compound name

3,5-dibromo-4-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 375.75955 Da
Monoisotopic Mass: 3.6
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]+	376.76683	140.8
[M+Na]+	398.74877	147.2
[M-H]-	374.75227	141.6
[M+NH4]+	393.79337	156.7
[M+K]+	414.72271	136.8
[M+H-H2O]+	358.75681	145.8
[M+HCOO]-	420.75775	153.0
[M+CH3COO]-	434.77340	203.9
[M+Na-2H]-	396.73422	138.7
[M]+	375.75900	170.3
[M]-	375.76010	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe