CID 253827

57693-35-3

Structural Information

Molecular Formula

C₁₅H₁₄Cl₂O₂

SMILES

CC1=CC(=CC(=C1O)CC2=C(C(=CC(=C2)Cl)C)O)Cl

InChI

InChI=1S/C15H14Cl2O2/c1-8-3-12(16)6-10(14(8)18)5-11-7-13(17)4-9(2)15(11)19/h3-4,6-7,18-19H,5H2,1-2H3

InChIKey

PLYLXUREZURVOA-UHFFFAOYSA-N

Compound name

4-chloro-2-[(5-chloro-2-hydroxy-3-methylphenyl)methyl]-6-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 296.03708 Da
Monoisotopic Mass: 5.1
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]+	297.04436	163.7
[M+Na]+	319.02630	180.9
[M+NH4]+	314.07090	172.7
[M+K]+	335.00024	172.1
[M-H]-	295.02980	167.9
[M+Na-2H]-	317.01175	171.7
[M]+	296.03653	168.2
[M]-	296.03763	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe