CID 125430

130689-92-8

Structural Information

Molecular Formula

C₁₂H₅Cl₅O

SMILES

C1=C(C=C(C(=C1Cl)O)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl

InChI

InChI=1S/C12H5Cl5O/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,18H

InChIKey

FZCCRONMPSHDPF-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(3,4,5-trichlorophenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 117
Patents: 339.8783 Da
Monoisotopic Mass: 6.4
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]+	340.885576	164.5
[M+Na]+	362.867518	175.8
[M-H]-	338.871024	165.1
[M+NH4]+	357.912123	178.4
[M+K]+	378.841458	169.2
[M+H-H2O]+	322.875560	161.6
[M+HCOO]-	384.876501	161.7
[M+CH3COO]-	398.892151	173.7
[M+Na-2H]-	360.852966	163.5
[M]+	339.87775142	165.7
[M]-	339.87884858	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe