CID 62616

6642-07-5

Structural Information

Molecular Formula

C₂₀H₁₅Cl₃O₃

SMILES

C1=CC(=C(C=C1Cl)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)Cl)O)Cl)O

InChI

InChI=1S/C20H15Cl3O3/c21-15-1-3-18(24)11(7-15)5-13-9-17(23)10-14(20(13)26)6-12-8-16(22)2-4-19(12)25/h1-4,7-10,24-26H,5-6H2

InChIKey

FXHQZEJEBWTOJA-UHFFFAOYSA-N

Compound name

4-chloro-2,6-bis[(5-chloro-2-hydroxyphenyl)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 27
Patents: 408.00867 Da
Monoisotopic Mass: 6.5
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]+	409.01595	192.8
[M+Na]+	430.99789	211.1
[M+NH4]+	426.04249	201.0
[M+K]+	446.97183	200.9
[M-H]-	407.00139	198.3
[M+Na-2H]-	428.98334	201.4
[M]+	408.00812	198.2
[M]-	408.00922	198.2

Literature stripe

literature stripe

Patent stripe

patents stripe