CID 67449926

3-chloro-4-iodophenol

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1O)Cl)I

InChI

InChI=1S/C6H4ClIO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

InChIKey

DIBGHLUZOSSRIT-UHFFFAOYSA-N

Compound name

3-chloro-4-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 253.89954 Da
Monoisotopic Mass: 2.8
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]+	254.90682	130.9
[M+Na]+	276.88876	134.3
[M-H]-	252.89226	126.9
[M+NH4]+	271.93336	147.9
[M+K]+	292.86270	136.4
[M+H-H2O]+	236.89680	123.6
[M+HCOO]-	298.89774	145.5
[M+CH3COO]-	312.91339	179.8
[M+Na-2H]-	274.87421	126.0
[M]+	253.89899	129.5
[M]-	253.90009	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe