CID 119882

28150-30-3

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

C1C(O1)COC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C16H16O3/c1-2-4-13(5-3-1)10-17-14-6-8-15(9-7-14)18-11-16-12-19-16/h1-9,16H,10-12H2

InChIKey

BYDXZYUGDXYSJY-UHFFFAOYSA-N

Compound name

2-[(4-phenylmethoxyphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 256.10995 Da
Monoisotopic Mass: 3.1
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]+	257.117226	154.9
[M+Na]+	279.099168	163.4
[M-H]-	255.102674	165.7
[M+NH4]+	274.143773	165.5
[M+K]+	295.073108	161.7
[M+H-H2O]+	239.107210	146.5
[M+HCOO]-	301.108151	178.9
[M+CH3COO]-	315.123801	196.6
[M+Na-2H]-	277.084616	162.5
[M]+	256.10940142	160.8
[M]-	256.11049858	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe