CID 43844

61888-67-3

Structural Information

Molecular Formula

C₁₅H₁₅ClO₂

SMILES

COC1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)CCO

InChI

InChI=1S/C15H15ClO2/c1-18-15-9-11(6-7-17)8-13(10-15)12-2-4-14(16)5-3-12/h2-5,8-10,17H,6-7H2,1H3

InChIKey

ZJURXWFDOGPTFH-UHFFFAOYSA-N

Compound name

2-[3-(4-chlorophenyl)-5-methoxyphenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 262.07605 Da
Monoisotopic Mass: 3.7
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]+	263.083326	156.8
[M+Na]+	285.065268	166.1
[M-H]-	261.068774	162.5
[M+NH4]+	280.109873	174.1
[M+K]+	301.039208	160.5
[M+H-H2O]+	245.073310	150.6
[M+HCOO]-	307.074251	175.3
[M+CH3COO]-	321.089901	193.7
[M+Na-2H]-	283.050716	161.3
[M]+	262.07550142	160.6
[M]-	262.07659858	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.