CID 107325

4698-96-8

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

C1C(O1)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H14O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-17-15/h1-9,15H,10-11H2

InChIKey

GXANCFOKAWEPIS-UHFFFAOYSA-N

Compound name

2-[(4-phenylphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 653
Patents: 226.09938 Da
Monoisotopic Mass: 3.2
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]+	227.106656	146.7
[M+Na]+	249.088598	155.8
[M-H]-	225.092104	157.8
[M+NH4]+	244.133203	158.6
[M+K]+	265.062538	153.9
[M+H-H2O]+	209.096640	138.7
[M+HCOO]-	271.097581	170.9
[M+CH3COO]-	285.113231	160.0
[M+Na-2H]-	247.074046	154.9
[M]+	226.09883142	150.9
[M]-	226.09992858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe