CID 78183

Diphenoxymethane

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

C1=CC=C(C=C1)OCOC2=CC=CC=C2

InChI

InChI=1S/C13H12O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

VTXLTXPNXYLCQD-UHFFFAOYSA-N

Compound name

phenoxymethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 769
Patents: 200.08372 Da
Monoisotopic Mass: 3.9
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]+	201.090996	141.9
[M+Na]+	223.072938	148.9
[M-H]-	199.076444	148.4
[M+NH4]+	218.117543	160.5
[M+K]+	239.046878	146.3
[M+H-H2O]+	183.080980	134.5
[M+HCOO]-	245.081921	167.1
[M+CH3COO]-	259.097571	183.2
[M+Na-2H]-	221.058386	150.5
[M]+	200.08317142	143.4
[M]-	200.08426858	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe