CID 10013411

171435-98-6

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

C1C(O1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C14H12O2/c1-2-4-12(5-3-1)16-13-8-6-11(7-9-13)14-10-15-14/h1-9,14H,10H2

InChIKey

NOARSFGGODBKQW-UHFFFAOYSA-N

Compound name

2-(4-phenoxyphenyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 212.08372 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]+	213.09100	142.3
[M+Na]+	235.07294	151.9
[M-H]-	211.07644	153.6
[M+NH4]+	230.11754	154.9
[M+K]+	251.04688	150.2
[M+H-H2O]+	195.08098	134.6
[M+HCOO]-	257.08192	166.9
[M+CH3COO]-	271.09757	156.1
[M+Na-2H]-	233.05839	151.1
[M]+	212.08317	146.2
[M]-	212.08427	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe