CID 3054653

Brn 2999248

Structural Information

Molecular Formula

C₂₁H₁₉ClO₂

SMILES

C1=CC=C(C=C1)C(CO)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClO2/c22-19-10-6-16(7-11-19)14-17-8-12-20(13-9-17)24-21(15-23)18-4-2-1-3-5-18/h1-13,21,23H,14-15H2

InChIKey

VRRHKUJQICOAEB-UHFFFAOYSA-N

Compound name

2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 338.10736 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]+	339.114636	179.2
[M+Na]+	361.096578	185.9
[M-H]-	337.100084	187.0
[M+NH4]+	356.141183	192.3
[M+K]+	377.070518	178.8
[M+H-H2O]+	321.104620	170.7
[M+HCOO]-	383.105561	195.8
[M+CH3COO]-	397.121211	189.5
[M+Na-2H]-	359.082026	182.3
[M]+	338.10681142	181.5
[M]-	338.10790858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe