CID 352816

2-(4-benzoylphenoxymethyl)oxirane

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

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

InChI

InChI=1S/C16H14O3/c17-16(12-4-2-1-3-5-12)13-6-8-14(9-7-13)18-10-15-11-19-15/h1-9,15H,10-11H2

InChIKey

LJRIZGQRKVWXSI-UHFFFAOYSA-N

Compound name

[4-(oxiran-2-ylmethoxy)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 99
Patents: 254.0943 Da
Monoisotopic Mass: 2.9
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]+	255.10158	160.0
[M+Na]+	277.08352	176.1
[M+NH4]+	272.12812	169.1
[M+K]+	293.05746	170.0
[M-H]-	253.08702	173.5
[M+Na-2H]-	275.06897	171.9
[M]+	254.09375	167.4
[M]-	254.09485	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe