CID 352816

2-[(4-benzoylphenoxy)methyl]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: 101
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	153.8
[M+Na]+	277.08352	162.4
[M-H]-	253.08702	164.8
[M+NH4]+	272.12812	164.4
[M+K]+	293.05746	160.5
[M+H-H2O]+	237.09156	145.7
[M+HCOO]-	299.09250	177.1
[M+CH3COO]-	313.10815	196.6
[M+Na-2H]-	275.06897	160.3
[M]+	254.09375	158.5
[M]-	254.09485	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe