CID 3084822

41363-16-0

Structural Information

Molecular Formula

C₁₂H₆Cl₄O₂

SMILES

C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)O)Cl)Cl)O

InChI

InChI=1S/C12H6Cl4O2/c13-7-1-5(17)2-8(14)11(7)12-9(15)3-6(18)4-10(12)16/h1-4,17-18H

InChIKey

CUBQDFRSSGBHPM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 321.9122 Da
Monoisotopic Mass: 5.3
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]+	322.91948	165.7
[M+Na]+	344.90142	182.8
[M+NH4]+	339.94602	174.3
[M+K]+	360.87536	173.7
[M-H]-	320.90492	168.8
[M+Na-2H]-	342.88687	173.2
[M]+	321.91165	170.3
[M]-	321.91275	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe