CID 20569227

40346-55-2

Structural Information

Molecular Formula

C₁₅H₁₃Cl₃O₂

SMILES

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

InChI

InChI=1S/C15H13Cl3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3

InChIKey

OQADATLUDADTND-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 94
Patents: 329.9981 Da
Monoisotopic Mass: 5.9
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]+	331.005376	167.4
[M+Na]+	352.987318	178.6
[M-H]-	328.990824	170.8
[M+NH4]+	348.031923	182.4
[M+K]+	368.961258	171.0
[M+H-H2O]+	312.995360	163.8
[M+HCOO]-	374.996301	172.3
[M+CH3COO]-	389.011951	203.6
[M+Na-2H]-	350.972766	169.1
[M]+	329.99755142	171.2
[M]-	329.99864858	171.2

Literature stripe

literature stripe

Patent stripe

patents stripe